data_1wxa_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 1wxa _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 ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -129.38 151.3 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -139.19 127.22 22.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CG ' HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -89.72 103.93 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -95.88 89.69 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.592 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 92.4 m-85 -66.54 -46.44 76.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.3 62.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.67 81.39 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.29 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 -34.3 74.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -143.96 92.35 6.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -38.92 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -44.64 -56.88 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 5.3 mp -78.11 142.07 63.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 -82.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -130.48 155.52 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -126.67 144.54 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.405 HG21 ' CG ' ' A' ' 13' ' ' ARG . 20.7 p -131.69 120.35 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.483 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.0 pt -122.14 151.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -71.28 108.26 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.377 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -109.11 160.14 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.2 m -124.18 168.13 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -86.81 50.65 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 17.7 m-20 -41.81 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -106.53 -174.41 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.73 16.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -43.41 -54.84 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -51.43 -56.36 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.35 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG11 ' CB ' ' A' ' 54' ' ' PRO . 3.1 t -44.31 -64.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.05 -58.13 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' CB ' HD13 ' A' ' 28' ' ' ILE . 5.7 mm-40 -46.6 -62.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.4 t -46.87 -48.19 21.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 54' ' ' PRO . 13.8 mt -52.96 -66.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.7 -49.32 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 4.1 mmmt -45.8 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -54.83 -24.41 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.71 33.24 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.61 54.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.26 47.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.18 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -48.19 165.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.75 114.11 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.01 -15.83 20.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.78 -23.61 55.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.66 -42.22 29.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -89.05 148.92 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.21 -171.6 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.41 HD11 ' CG2' ' A' ' 40' ' ' VAL . 7.4 mm -112.17 99.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -90.31 119.11 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 28.6 ptt180 -89.21 134.54 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.33 119.41 57.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtm -112.09 130.69 55.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 122.02 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -97.26 153.0 18.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.91 117.0 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 6.7 mm -50.6 155.62 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.86 159.08 15.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.22 -36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.25 28.12 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.84 -176.37 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.4 m -129.62 110.06 17.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.01 -14.13 21.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 12' ' ' LEU . 21.1 tp -93.61 -55.98 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -56.73 -44.71 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.36 -53.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.98 -50.18 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.36 -42.23 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -115.29 52.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 67.6 t-105 -110.87 131.2 22.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -64.71 -32.06 73.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.17 -36.41 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.3 mtpt -64.89 -19.41 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.58 165.33 14.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -58.13 155.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 5.0 tp -122.25 132.7 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.592 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.9 t -137.02 141.04 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 51.0 m-85 -115.99 102.82 9.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -97.35 153.17 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 40' ' ' VAL . 5.4 tp -107.18 113.05 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.13 160.67 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 154.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -140.23 126.16 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -86.24 117.59 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mm -114.39 84.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.69 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.8 m-85 -58.03 -48.07 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.4 64.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -85.66 80.82 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.41 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.97 -37.35 87.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 6.7 mmtt -141.76 94.38 7.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.44 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -50.08 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.3 mp -75.69 141.27 72.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -88.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -122.11 160.79 24.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -136.12 144.33 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 p -131.32 111.48 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.454 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 6.1 pt -108.03 156.42 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 29' ' ' LEU . 1.8 mm? -76.16 107.78 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -110.58 160.07 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.13 175.44 7.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -92.86 33.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.22 -45.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -52.8 174.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.7 p -128.76 -167.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.77 -40.96 89.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -71.53 -52.85 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.82 -43.37 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' A' ' 54' ' ' PRO . 9.0 t -48.78 -67.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.9 -53.02 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 50.0 mm-40 -52.49 -68.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 19.8 t -38.19 -59.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 HD23 ' CE2' ' A' ' 57' ' ' TYR . 26.9 mt -40.61 -66.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.35 -52.97 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 6.5 mmtt -45.43 -41.27 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.1 m-85 -79.22 -31.33 43.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.4 37.81 0.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.02 56.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -89.31 48.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' GLU . 1.3 mtpt -155.77 -45.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 51' ' ' LYS . 19.0 mm-40 -51.53 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.551 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -109.3 123.54 36.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.96 -31.0 6.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.557 1.82 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -66.44 -11.99 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.21 -34.2 20.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 42.0 m-85 -98.91 153.81 18.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -137.58 165.88 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 108.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 18.5 mm -97.6 115.14 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.88 125.55 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 19.7 ptt180 -89.29 121.07 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 78' ' ' GLU . 2.6 t -98.65 121.64 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.537 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -107.79 121.18 44.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -128.75 137.68 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 62' ' ' VAL . 1.1 pt-20 -113.9 147.8 37.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -123.16 127.46 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.99 147.43 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 6.9 mt -95.39 168.88 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 4.3 t0 -55.98 -67.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 1.7 t0 156.13 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -106.13 15.96 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.82 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 m -116.21 107.22 47.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.574 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -10.71 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.2 tp -94.73 -54.03 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.64 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.5 mt -56.61 -49.9 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 15.1 t80 -53.07 -60.61 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -31.69 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -103.93 44.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.572 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.3 t-105 -115.61 130.76 24.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.94 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.5 p -56.31 -26.91 53.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.63 -33.55 76.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.454 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 5.1 mtpp -69.13 -17.57 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.16 -166.8 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.5 mm -80.73 157.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 10.7 tp -121.89 142.06 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.7 t -145.99 146.61 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 54.3 m-85 -122.19 104.9 9.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -98.41 160.69 14.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 128.4 52.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.45 174.89 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 163.87 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -129.58 167.52 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.66 127.11 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.24 110.9 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.5 mm -108.36 94.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -64.37 -46.37 83.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 63.39 49.16 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.16 69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER 170.61 -72.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.13 -43.43 66.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -137.56 86.58 18.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.46 18.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -62.39 -72.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -55.01 142.22 57.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -172.08 158.86 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 16.1 mmtt -136.62 152.81 50.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -130.46 132.95 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.3 pt -129.85 158.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.65 104.96 7.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -108.54 159.96 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -124.05 161.6 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.477 ' CG2' ' NH1' ' A' ' 92' ' ' ARG . 18.9 p -80.31 54.9 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ASP . 3.8 t -174.99 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' THR . 8.1 m-20 -39.92 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -100.95 164.06 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.11 -18.13 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.99 -43.16 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -65.38 -41.49 93.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.64 79.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.485 HG13 ' CB ' ' A' ' 54' ' ' PRO . 5.2 t -49.21 -56.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.16 -60.71 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' CB ' HD11 ' A' ' 28' ' ' ILE . 34.7 mm-40 -44.27 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -42.57 -55.35 3.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.65 -64.36 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 19.7 mt-10 -46.49 -53.84 10.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 6.0 mmmt -41.84 -63.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 21.4 m-85 -57.73 -25.55 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 115.39 3.05 21.17 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -79.43 55.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.88 46.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -156.17 -46.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 7.6 mm-40 -44.33 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.01 113.8 59.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.485 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -74.99 -8.23 19.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.11 -22.43 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -80.95 -40.09 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 4.9 m-30 -88.32 158.59 18.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.81 -176.22 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.74 114.96 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.54 122.41 43.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' CD ' HD22 ' A' ' 81' ' ' LEU . 24.8 ptt180 -89.48 133.1 34.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -107.94 117.12 52.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.1 mtm -106.47 122.53 46.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.8 tttt -117.76 139.02 51.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.3 pt-20 -116.84 150.67 38.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.7 mt -127.76 127.69 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.4 mm -56.72 156.32 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.456 HD22 ' CD ' ' A' ' 61' ' ' ARG . 63.1 mt -114.41 166.0 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.52 22.79 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 30.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' OE1' ' CD1' ' A' ' 90' ' ' ILE . 0.9 OUTLIER -82.06 168.98 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 6.5 m -117.34 100.02 52.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -19.58 17.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.5 tp -88.69 -62.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -49.96 -40.28 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 45.1 mt -57.74 -60.47 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -43.19 -54.17 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.477 ' NH1' ' CG2' ' A' ' 32' ' ' THR . 2.2 mpt_? -54.72 -41.29 70.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -100.8 41.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 101' ' ' LEU . 70.9 t-105 -113.45 131.04 23.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 109.85 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.5 p -52.44 -31.28 33.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.83 -43.6 94.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.8 mtpp -55.7 -23.39 28.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.56 167.21 12.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.0 154.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.2 tp -121.91 139.95 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.8 151.22 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 74.1 m-85 -125.41 113.76 17.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -107.19 142.04 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -90.14 113.23 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 164.43 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 177.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 p -129.63 167.62 17.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -147.2 122.81 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' N ' HD13 ' A' ' 12' ' ' LEU . 3.9 mtt180 -78.49 115.61 18.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -114.54 85.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.7 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.7 m-85 -60.15 -47.94 83.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 42.89 49.72 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -73.38 78.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.63 -54.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.67 -34.66 78.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 3.0 mmtt -141.59 91.82 8.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.92 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -54.92 -56.97 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.6 mp -80.85 141.08 50.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -46.08 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.61 156.68 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -141.88 144.22 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -125.67 118.79 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 7.6 pt -106.4 157.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 29' ' ' LEU . 1.7 mm? -75.24 107.33 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.67 159.78 17.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.01 176.33 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 p -96.45 37.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.74 -45.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.86 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 7.3 p -123.84 -172.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.51 -42.75 61.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.9 -48.41 51.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.67 -52.18 61.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.83 -40.85 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 54' ' ' PRO . 20.0 t -53.1 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.44 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.2 mm-40 -45.13 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' GLU . 44.1 t -38.09 -56.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.2 mt -46.47 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.12 -50.51 58.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 11.5 mmtt -52.21 -41.85 63.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.55 -20.86 58.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.34 3.93 27.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.49 57.57 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -153.9 -46.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.47 171.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.89 116.63 66.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.472 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -75.02 -27.78 9.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.7 62.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.09 -40.74 14.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.99 152.29 20.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -176.82 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mm -110.27 109.43 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -104.08 121.79 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 27.0 ptt180 -89.73 133.11 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.28 118.65 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.9 mtm -111.65 122.25 47.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 64' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.56 118.83 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.79 152.12 22.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -134.34 117.32 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.471 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 5.1 mm -50.72 158.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 61' ' ' ARG . 4.7 mt -115.34 -177.63 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.58 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -118.16 13.11 13.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 2.7 p-10 -146.6 22.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.77 177.52 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.423 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 39.1 m -133.07 104.09 12.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.517 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.02 -13.97 21.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 92' ' ' ARG . 9.7 tp -88.66 -62.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -52.9 -40.48 63.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 44.6 mt -55.97 -63.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -41.69 -52.83 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.432 ' CZ ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -54.62 -42.68 71.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.88 45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.0 t-105 -115.98 130.83 24.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 120.38 6.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.7 p -64.96 -21.71 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.24 -34.29 75.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.1 mtpt -66.22 -29.33 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.21 -174.67 19.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -75.18 154.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.553 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 8.1 tp -120.64 138.77 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.7 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.5 t -147.4 140.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 67.6 m-85 -114.9 113.94 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.31 163.96 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tp -123.31 109.63 14.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 -177.55 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 166.63 7.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -129.51 148.21 51.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.73 132.33 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.4 107.23 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mm -98.24 83.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.648 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 91.8 m-85 -59.77 -48.76 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.83 -71.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' TYR . 8.0 t70 48.09 38.13 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -151.72 -55.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.58 -25.87 61.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -146.52 96.47 4.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -44.19 -60.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 5.1 mp -75.32 142.07 74.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 -84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.21 156.76 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' CD ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -124.1 146.87 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.4 p -129.35 113.5 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.488 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.1 pt -117.33 153.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.54 103.63 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 0.9 OUTLIER -105.28 159.23 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 p -124.65 173.81 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.0 p -88.23 40.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -151.16 -44.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -38.86 157.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 1.4 p -112.89 148.72 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.26 -25.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.51 -43.35 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' THR . 7.2 t80 -69.69 -46.6 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.92 67.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 59' ' ' ILE . 2.5 t -41.21 -63.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.12 -58.79 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.45 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 46.4 t -43.1 -56.43 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 54' ' ' PRO . 19.5 mt -42.74 -63.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.0 mt-10 -46.01 -54.13 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 2.8 mmmt -42.22 -66.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 105.43 28.06 5.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.95 54.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.53 45.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -154.11 -46.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.76 165.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -90.6 112.67 54.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -15.8 20.59 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -76.65 -19.42 57.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -32.7 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 2.5 m-30 -94.41 149.17 21.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.41 -173.41 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 108.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.415 ' CD1' HG23 ' A' ' 40' ' ' VAL . 16.6 mm -113.03 103.08 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 80' ' ' ILE . . . -97.42 119.9 36.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.552 ' NE ' ' CD2' ' A' ' 81' ' ' LEU . 19.2 ptt180 -89.08 135.84 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.1 t -105.97 116.62 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.499 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -101.04 115.27 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 125.82 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.08 154.38 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.67 124.69 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.474 HD13 ' CB ' ' A' ' 60' ' ' ALA . 10.0 mm -60.38 150.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' CD2' ' NE ' ' A' ' 61' ' ' ARG . 4.8 mt -105.4 -176.18 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -176.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.95 13.74 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.64 40.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.83 164.92 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.4 m -106.96 106.68 58.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.522 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.0 -20.55 16.75 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.452 HD11 ' CZ ' ' A' ' 92' ' ' ARG . 16.5 tp -86.04 -54.13 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -34.67 66.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.4 mt -69.96 -48.66 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.74 -43.49 47.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.452 ' CZ ' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.52 -46.18 87.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.87 42.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.4 t-105 -113.75 130.98 23.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 120.81 6.22 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.8 p -63.18 -32.35 73.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.39 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.6 mtpt -63.16 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 129.08 176.87 14.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -65.87 154.62 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 6.9 tp -122.36 137.71 54.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.648 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -145.6 142.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 101' ' ' LEU . 68.0 m-85 -115.3 111.03 20.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.99 168.61 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -125.59 106.36 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 168.46 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 169.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 p -129.64 167.35 18.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.345 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.26 125.16 18.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.16 117.02 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mm -111.56 80.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.538 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 84.1 m-85 -54.62 -48.82 71.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.94 87.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 18' ' ' SER . 27.7 t0 -100.64 64.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 162.19 53.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -173.82 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 49' ' ' LEU . 7.6 mmtt -143.75 91.86 6.59 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.69 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.06 -56.32 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 5.0 mp -84.61 140.96 38.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 -76.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.23 137.11 53.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -121.92 117.29 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.47 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 5.5 pt -117.92 156.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.43 104.61 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.6 tp -106.84 158.91 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.47 HG22 ' CD2' ' A' ' 88' ' ' LEU . 20.9 p -91.62 47.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.48 -44.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -48.66 173.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 p -120.52 174.51 6.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.89 -30.7 70.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.74 -40.03 95.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -69.49 -49.51 54.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' CB ' ' A' ' 54' ' ' PRO . 2.7 t -42.71 -59.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.11 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.15 -64.57 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.22 -48.5 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.3 mt -53.87 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 3.9 mmmt -44.9 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -55.53 -23.3 25.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.21 14.49 13.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' ' HE3' ' A' ' 20' ' ' LYS . 2.1 mm? -89.26 54.89 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.48 43.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -150.14 -46.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.55 172.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.15 117.36 65.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.97 -11.2 21.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -13.09 55.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.03 -40.99 12.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -91.63 148.05 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -173.91 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 15.1 mm -108.78 105.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -97.45 119.66 36.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 12.2 ptt180 -89.21 125.94 35.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -103.64 115.4 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.563 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -105.33 117.57 34.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -127.92 122.16 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.34 155.66 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mt -135.61 106.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -42.12 154.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 1.4 mt -103.4 156.44 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.76 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 170.74 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -103.62 30.4 5.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.77 175.73 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 115.01 29.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.483 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 32' ' ' THR . 25.3 tp -83.01 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -50.34 -43.05 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 47.4 mt -56.61 -42.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.25 -51.49 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -54.48 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.33 49.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.7 t-105 -102.8 130.04 24.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 p -66.14 -16.97 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -77.31 -22.17 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.433 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 1.1 mttt -76.08 -27.98 57.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.02 179.02 15.56 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.57 154.31 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 10.5 tp -122.08 137.83 54.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.9 t -146.26 141.07 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 47.2 m-85 -116.24 105.6 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -101.01 141.62 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.0 121.53 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 -173.45 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 164.36 26.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -122.6 138.07 54.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.4 134.14 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -95.53 107.52 19.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 mm -106.13 87.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -63.17 -46.69 85.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.06 -64.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t0 39.95 50.42 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -171.3 -58.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.65 -25.09 58.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' CG ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -140.48 96.48 7.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 85.9 m-20 63.46 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' PRO . 2.7 mp -39.63 140.97 0.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -139.0 150.41 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -116.76 141.25 48.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.6 p -125.3 110.58 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.472 HG21 ' CE ' ' A' ' 46' ' ' LYS . 3.6 pt -108.38 152.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.3 mm? -73.95 115.48 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -119.97 158.82 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.416 ' CA ' HD23 ' A' ' 88' ' ' LEU . 66.0 m -124.2 173.8 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -88.2 61.92 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.6 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -38.98 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 p -105.65 151.6 24.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.48 62.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -54.35 48.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.96 -48.6 72.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 54' ' ' PRO . 2.5 t -47.86 -58.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.36 -53.77 26.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.4 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.4 p -40.2 -53.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.4 mt -48.85 -67.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.55 -50.81 52.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' CE ' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -52.17 -46.55 65.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -71.07 -25.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.02 29.38 3.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 20' ' ' LYS . 2.3 mm? -112.89 59.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -87.68 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.17 -46.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.11 166.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 116.69 66.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.469 ' CB ' HG12 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.97 -30.16 7.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -65.35 -14.48 60.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -88.46 -39.97 13.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.8 m-30 -91.84 147.28 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.76 -171.78 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' A' ' 40' ' ' VAL . 17.0 mm -113.74 104.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.66 120.18 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.55 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 16.3 ptt180 -90.78 133.77 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.8 t -107.44 118.36 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.94 120.26 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -113.5 141.36 47.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.2 150.99 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.33 124.87 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 81' ' ' LEU . 10.5 mm -58.78 159.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -118.33 -176.78 3.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -177.72 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.28 20.6 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.32 36.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.49 -177.61 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 1.2 p -129.72 100.27 19.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 108.254 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.416 HD23 ' CA ' ' A' ' 31' ' ' SER . 14.1 tp -72.14 -63.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.31 -46.3 65.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 46.0 mt -53.06 -47.14 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.36 -46.89 72.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -46.39 -44.26 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -108.71 48.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 62.2 t-105 -104.78 131.86 21.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.599 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 132.41 15.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -39.96 72.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.44 -37.63 65.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 3.1 mttp -59.09 -30.56 68.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.16 167.55 12.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.6 149.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 1.3 tp -122.71 140.17 53.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.0 t -147.85 148.91 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 45.7 m-85 -118.44 109.82 16.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -99.32 141.36 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.35 103.36 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.97 179.33 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 175.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -124.99 141.19 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.57 128.29 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -96.34 111.25 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.54 84.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.654 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 89.2 m-85 -55.19 -48.4 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.08 65.65 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.32 70.2 10.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.79 -27.87 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -156.0 95.27 2.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.29 2.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -41.65 -62.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 3.9 mp -70.77 142.29 88.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -55.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE2' HG21 ' A' ' 27' ' ' THR . 6.8 p90 -158.82 163.48 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.09 143.23 51.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.441 HG21 ' CE2' ' A' ' 25' ' ' TYR . 71.3 p -129.25 111.42 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.2 pt -117.01 151.54 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.06 106.03 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 2.0 tp -101.57 161.93 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.86 155.45 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.474 HG21 ' CD2' ' A' ' 88' ' ' LEU . 79.5 p -79.09 53.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.54 -43.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.21 179.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 p -125.76 -170.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' ' CG2' ' A' ' 40' ' ' VAL . . . -73.65 -28.6 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.92 -43.91 94.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -67.14 -52.54 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' CB ' HD13 ' A' ' 30' ' ' LEU . . . -58.53 -41.12 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.474 HG13 ' CB ' ' A' ' 54' ' ' PRO . 4.9 t -51.69 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.92 -52.24 14.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -47.87 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 16.6 t -43.8 -56.07 4.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 57' ' ' TYR . 32.5 mt -40.79 -61.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -47.84 -52.15 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 13.4 mmmt -45.68 -64.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 21.1 m-85 -55.54 -24.18 30.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.4 45.29 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.41 61.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.5 44.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -45.47 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.79 118.3 63.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.98 -16.62 20.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 1.9 mmtt -72.93 -5.97 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -98.1 -33.9 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.559 ' CE2' HD22 ' A' ' 44' ' ' LEU . 17.2 m-85 -94.87 135.87 35.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.8 p -119.69 -177.13 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' A' ' 40' ' ' VAL . 11.8 mm -117.38 100.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.6 124.25 37.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -89.21 131.47 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.39 115.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.3 mtm -107.89 116.33 31.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -132.37 118.33 19.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.65 150.87 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -129.86 123.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.4 mm -55.0 155.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.7 mt -106.85 165.8 11.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.4 OUTLIER -66.54 -13.65 61.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 8.8 t0 88.35 -39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.28 8.78 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.44 172.52 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.33 112.84 63.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -17.35 19.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' A' ' 32' ' ' THR . 39.2 tp -86.35 -65.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -40.81 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.77 -49.47 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.77 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 58.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 68.8 t-105 -116.36 131.5 23.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.582 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.04 119.74 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -62.28 -31.03 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.53 -37.98 82.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 3.8 mtpt -59.34 -31.33 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.69 -177.96 17.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.74 152.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 9.3 tp -122.28 137.13 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.654 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.6 t -147.69 149.95 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 51.0 m-85 -122.73 118.01 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.51 156.2 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.93 172.97 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 141.93 57.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 p -129.6 167.55 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.41 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.88 127.02 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -87.02 106.36 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -103.65 85.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.57 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 96.1 m-85 -56.93 -48.1 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.13 50.3 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.41 73.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -178.0 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.3 -36.98 33.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.74 90.76 47.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -74.98 170.57 20.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.3 m-20 79.03 -57.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -58.73 142.35 83.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.9 -76.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -145.48 156.43 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' NZ ' HG23 ' A' ' 23' ' ' ILE . 4.7 mptt -127.43 141.39 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -129.43 111.54 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 6.2 pt -105.91 156.05 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 29' ' ' LEU . 1.9 mm? -75.08 104.19 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.4 tp -107.26 159.6 16.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.1 178.21 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.147 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.1 p -88.73 -12.06 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -97.65 -35.99 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -58.68 154.62 14.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -108.63 -163.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.41 -57.38 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.82 -53.84 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.88 -41.58 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 54' ' ' PRO . 15.4 t -58.47 -65.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.2 -43.01 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.21 -61.05 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' TYR . 17.3 t -43.57 -57.54 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 57' ' ' TYR . 22.6 mt -41.18 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.4 -55.0 28.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 4.6 mmtt -47.54 -33.66 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.0 m-85 -84.38 -32.8 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.35 -7.05 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -78.13 57.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.46 44.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -154.24 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.42 178.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.29 123.84 36.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.468 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -75.01 -27.5 9.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -62.83 -13.88 39.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -91.22 -35.81 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.53 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.4 m-85 -96.01 139.02 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.0 p -128.4 176.07 8.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 40' ' ' VAL . 10.5 mm -103.24 103.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.0 119.8 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 16.1 ptt180 -89.05 121.46 31.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.29 114.45 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.53 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.89 121.02 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.72 138.57 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.48 159.41 16.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.52 104.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.9 mm -47.43 146.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.409 HD21 ' NE ' ' A' ' 61' ' ' ARG . 9.8 mt -107.89 167.2 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.09 20.35 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.82 23.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.47 160.14 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.3 m -113.14 112.07 49.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.487 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -27.19 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tp -76.86 -59.44 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -50.97 -42.74 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.7 mt -56.49 -57.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.27 -46.62 79.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -45.75 -43.88 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -108.51 49.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.585 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.5 t-105 -107.77 131.06 22.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.585 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.99 124.84 8.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.6 p -69.56 -29.08 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -26.86 67.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -68.3 -37.66 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.65 -170.37 24.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -79.46 155.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.9 tp -122.18 140.54 52.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.5 t -146.54 138.98 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 39.4 m-85 -115.68 102.6 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -96.96 150.67 20.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.48 117.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.91 155.44 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.0 145.44 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.2 p -129.54 167.53 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.17 127.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -85.52 113.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.09 85.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.537 ' CE2' HG11 ' A' ' 102' ' ' VAL . 25.7 m-85 -49.92 -49.06 51.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.63 74.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.48 -56.01 8.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.65 68.56 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' CE1' ' A' ' 57' ' ' TYR . 1.9 tp 177.87 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -140.79 86.04 12.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.62 -45.41 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.8 mt -71.71 139.87 83.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.96 -54.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 8.7 p90 -167.81 164.23 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 33.5 mmtt -138.71 146.24 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -124.82 113.9 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 5.2 pt -108.63 157.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -78.19 104.75 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.6 tp -109.05 162.54 14.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -123.56 -176.06 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -101.79 2.22 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -113.76 -23.0 9.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.482 ' CG ' ' CD2' ' A' ' 38' ' ' PHE . 19.6 m-20 -62.35 177.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -130.9 169.14 16.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.19 -38.84 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.48 -52.64 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD2' ' CG ' ' A' ' 34' ' ' ASP . 85.4 t80 -58.75 -49.62 76.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.09 82.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG12 ' CB ' ' A' ' 54' ' ' PRO . 9.2 t -51.41 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.53 -53.77 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.6 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -43.51 -58.17 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 57' ' ' TYR . 38.3 mt -43.83 -68.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.5 mt-10 -49.71 -56.54 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 7.3 mmmt -45.58 -48.44 14.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 1.4 m-85 -68.89 -26.75 65.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.49 26.93 3.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -112.48 62.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.47 44.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -153.07 -46.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -47.96 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -101.53 116.63 63.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' CB ' HG12 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -75.06 -9.52 20.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -81.01 -11.28 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.46 -37.75 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CD2' HD22 ' A' ' 44' ' ' LEU . 10.9 m-85 -91.27 145.16 24.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 p -132.57 171.95 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.364 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.7 mm -100.26 112.92 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.16 121.95 45.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CD ' HD21 ' A' ' 81' ' ' LEU . 29.3 ptt180 -89.29 127.66 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 t -108.58 120.32 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.44 122.28 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 1.2 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.18 138.13 50.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.83 155.41 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.5 mt -129.53 115.57 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -51.59 148.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.446 HD21 ' CD ' ' A' ' 61' ' ' ARG . 21.6 mt -106.96 167.24 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -168.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.21 30.19 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.93 29.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.77 166.42 12.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.5 p -123.09 109.49 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.546 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -16.72 20.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 tp -83.46 -58.77 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.01 -41.53 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 42.8 mt -55.72 -47.99 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -67.03 -47.33 71.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -46.13 -34.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.49 54.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.585 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 64.0 t-105 -117.0 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.585 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.1 p -67.06 -39.47 86.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -34.32 62.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.5 mtpt -63.65 -27.07 68.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.68 174.18 13.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -65.9 153.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.8 tp -122.0 141.67 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -147.39 157.24 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 67.6 m-85 -131.49 107.59 8.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -97.24 145.91 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.12 130.38 55.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.24 173.51 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.34 146.82 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.79 121.38 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -84.09 115.08 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mm -110.54 82.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 91.6 m-85 -53.82 -48.96 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.35 53.99 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.04 74.6 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -177.04 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.85 -37.71 77.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -129.38 86.12 57.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 49.02 2.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.66 -51.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.1 mp -80.98 140.76 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -167.96 158.13 10.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -141.16 145.68 36.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.5 p -126.61 137.51 53.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.6 pt -129.12 156.68 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 29' ' ' LEU . 1.9 mm? -72.45 107.08 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -113.84 158.61 20.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 p -124.17 -178.32 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -93.11 18.63 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.9 OUTLIER -128.19 -43.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' THR . 29.8 m-20 -45.2 168.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -118.93 -177.48 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . . . -73.82 -37.82 64.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.36 -48.61 76.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.82 -51.27 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.73 72.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' A' ' 54' ' ' PRO . 2.7 t -40.28 -60.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.33 -59.07 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' CB ' HD13 ' A' ' 28' ' ' ILE . 7.0 mm-40 -47.49 -61.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.5 t -45.08 -49.26 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 mt -52.99 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -44.35 -50.25 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 8.8 mmmt -44.0 -66.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -54.24 -25.11 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.36 28.39 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.93 56.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.78 47.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -155.92 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -47.74 170.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.49 116.23 66.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.96 -28.07 9.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -22.48 66.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.51 -41.99 30.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -89.75 151.75 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 178.59 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 36' ' ' ALA . 33.2 mm -99.69 106.34 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.26 120.73 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -90.14 131.17 36.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.6 t -103.83 118.24 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.6 mtm -112.85 127.05 56.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.1 ttpt -123.39 138.52 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -114.46 156.95 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mt -135.11 123.2 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.4 mm -56.24 153.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.17 161.48 13.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -48.9 -72.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER 159.86 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.46 23.5 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.91 176.64 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.464 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 63.7 m -125.34 118.71 24.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -30.08 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.43 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.96 -43.27 60.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 50.3 mt -58.38 -42.45 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -70.01 -40.79 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.89 -43.08 76.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.5 53.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.3 t-105 -114.33 131.58 23.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.03 126.28 9.85 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -66.22 -40.92 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -38.15 57.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 4.4 mtpt -58.95 -35.17 72.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.9 173.87 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 152.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 5.5 tp -122.24 136.48 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.609 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.1 t -147.62 142.6 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -113.97 110.39 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -97.56 165.28 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 tp -113.41 104.19 12.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.62 169.54 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 170.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 143.16 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.06 128.87 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.57 104.27 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.9 mm -95.88 80.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.671 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 83.8 m-85 -52.72 -49.43 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.42 100.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.3 -48.51 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -85.6 53.71 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 tp -174.2 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD2' ' CD1' ' A' ' 47' ' ' TYR . 26.4 mmtt -129.59 87.87 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -55.27 -69.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.6 mp -58.13 140.97 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -62.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -156.03 162.5 40.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD3' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -127.35 147.62 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 p -127.53 116.19 19.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CG2' ' HG2' ' A' ' 46' ' ' LYS . 6.7 pt -118.37 156.78 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -79.24 112.35 16.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -115.78 159.75 21.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 p -124.02 178.41 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -91.45 29.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.22 -45.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -42.41 163.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.7 179.12 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.56 98.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.97 -48.54 67.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.43 -51.07 71.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.24 -50.87 72.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.2 t -47.23 -58.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.09 -54.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -43.02 -57.57 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CA ' ' HB2' ' A' ' 49' ' ' LEU . 18.4 mt -40.11 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 mt-10 -43.53 -56.67 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 28' ' ' ILE . 9.9 mptt -42.89 -67.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.447 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 6.2 m-85 -51.47 -22.92 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 110.94 19.29 7.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 1.9 mm? -93.97 56.14 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.46 45.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.64 -46.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.54 170.74 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 9.4 t30 -102.77 136.02 19.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -0.57 10.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -10.25 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -9.11 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 8.2 m-85 -128.51 156.63 42.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -139.54 173.74 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 13.5 mm -102.45 111.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -100.16 119.43 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HD3' ' CD2' ' A' ' 81' ' ' LEU . 21.8 ptt180 -89.12 132.81 34.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 78' ' ' GLU . 13.7 t -107.35 115.08 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.7 mtm -109.28 138.61 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -132.43 118.12 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HB3' ' CG2' ' A' ' 62' ' ' VAL . 1.4 pt-20 -105.25 150.04 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 mt -133.03 118.85 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 7.0 mm -52.24 152.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -99.48 161.59 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.1 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.99 27.53 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.08 175.33 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 88.1 m -125.6 109.5 25.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.497 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -21.5 15.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 28.3 tp -84.6 -51.29 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.86 -40.64 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.0 mt -61.08 -47.56 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -52.4 -49.84 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.79 92.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.89 42.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -112.91 131.61 22.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.042 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 -36.73 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.02 -38.05 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 5.4 mtpt -60.22 -35.06 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.14 175.18 13.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.8 154.51 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.428 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 6.4 tp -122.04 136.65 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.74 141.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 77.2 m-85 -113.4 118.42 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.03 132.6 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -138.13 171.63 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 161.89 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -129.37 167.51 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 124.7 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.89 112.81 18.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.27 88.59 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.695 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 87.9 m-85 -66.38 -46.8 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 44.14 59.14 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.2 t70 -82.03 82.12 7.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER 167.04 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.34 -18.23 65.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -162.02 91.92 1.37 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.23 5.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -52.48 -46.43 66.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -86.26 140.78 34.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 -73.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -141.72 156.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 19.8 mmtt -128.0 143.07 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.7 p -129.62 111.35 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 12.8 pt -112.11 160.65 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.66 115.67 21.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.74 159.09 20.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -124.15 153.39 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.424 HG23 ' NH2' ' A' ' 92' ' ' ARG . 4.3 p -75.16 56.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.63 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -54.94 155.66 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.7 p -107.57 -178.91 3.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -58.52 -48.13 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' ALA . 54.3 t0 -40.13 -52.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -59.79 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.59 56.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.475 HG11 ' CB ' ' A' ' 54' ' ' PRO . 52.3 t -50.32 -69.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.11 -48.73 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.3 mm-40 -54.4 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.2 p -37.84 -59.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD22 ' CE2' ' A' ' 57' ' ' TYR . 17.7 mt -40.43 -68.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.8 mt-10 -52.69 -54.18 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 32.1 mmtt -46.17 -42.39 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 3.8 m-85 -77.14 -25.2 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.51 22.6 5.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 3.1 mm? -103.16 67.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -99.49 56.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -157.62 -51.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.454 ' C ' ' CD ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -55.35 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.89 127.35 27.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -20.16 17.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -4.31 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -95.11 -34.47 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.408 ' CE2' HD22 ' A' ' 44' ' ' LEU . 81.1 m-85 -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 t -138.32 160.71 38.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 14.8 mm -94.56 110.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -102.49 119.85 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 39.6 ptt180 -89.24 135.94 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.6 t -107.89 120.29 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 mtm -110.07 129.04 55.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 2.7 tttt -122.13 140.72 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.2 pt-20 -120.68 149.24 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.8 mt -131.3 125.65 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mm -54.63 159.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 179.45 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -76.76 -11.14 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.8 t70 80.22 -1.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -125.14 8.24 7.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.51 -177.55 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 p -119.37 110.17 37.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.04 -11.15 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tp -94.59 -50.26 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -40.95 98.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.52 -50.36 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -46.75 -63.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' NH2' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER -48.57 -36.76 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.22 48.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.563 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.7 t-105 -119.06 129.74 25.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.563 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.97 100.8 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.558 1.82 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -45.2 -26.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -45.13 94.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 17.3 mtpt -58.11 -20.13 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.9 -170.62 14.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mm -77.19 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.5 tp -121.42 140.13 52.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.695 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 147.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 63.0 m-85 -121.17 117.52 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -107.05 168.12 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.56 132.25 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -176.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 165.34 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -129.62 167.36 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -141.76 125.59 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' NH2' ' C ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -79.15 114.2 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.453 ' C ' ' NH2' ' A' ' 13' ' ' ARG . 9.1 mm -115.47 91.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 92.6 m-85 -70.3 -46.68 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' TYR . . . 39.14 44.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.76 77.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -179.48 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 tp -87.78 -34.76 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 5.2 mmtp -139.47 88.75 12.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -41.06 -64.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.9 mp -68.51 141.13 92.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.99 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.419 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.3 p90 -150.85 153.83 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.78 135.96 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -101.52 125.09 48.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.459 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.8 pt -106.09 154.53 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.54 107.03 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.11 161.37 15.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.88 170.87 10.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -91.18 32.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.76 -45.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' CE2' ' A' ' 38' ' ' PHE . 14.2 m-20 -48.3 172.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.4 p -129.24 -170.27 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.71 -47.02 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -28.71 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE2' ' OD2' ' A' ' 34' ' ' ASP . 65.7 t80 -84.46 -56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -33.42 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 HG11 ' CB ' ' A' ' 54' ' ' PRO . 24.2 t -58.33 -60.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.64 -56.58 17.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 mm-40 -42.01 -70.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 45.7 t -38.3 -60.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 mt -42.0 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.13 -52.08 38.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 5.7 mmtt -48.05 -53.47 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.03 -25.81 68.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 20.79 5.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.29 66.73 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.66 46.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.99 -46.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -47.31 171.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.92 115.71 65.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.07 -24.11 13.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -12.35 60.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -91.07 -39.28 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -90.16 152.35 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 -176.45 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' CG1' HG23 ' A' ' 40' ' ' VAL . 4.8 mm -115.77 106.6 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -98.08 123.4 42.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -89.29 129.87 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 t -104.49 120.23 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -107.9 126.12 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.02 127.71 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.36 153.11 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 mt -131.97 122.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 7.6 mm -52.42 152.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 10.7 mt -99.25 159.1 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.36 -44.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.83 27.19 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.09 167.13 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.455 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 84.7 m -114.36 113.97 45.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.495 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.63 -62.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.34 -41.96 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 37.9 mt -55.03 -55.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.9 -48.16 83.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -43.56 -45.51 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.56 42.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.567 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.1 t-105 -102.86 131.01 22.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.567 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 117.95 5.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.426 1.751 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -61.92 -26.62 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 6.6 mtpt -64.2 -30.43 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . 124.62 147.74 7.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' GLY . 0.4 OUTLIER -39.68 154.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 5.7 tp -121.98 144.01 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 143.26 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.495 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 57.5 m-85 -119.13 113.68 21.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -101.74 166.75 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.23 123.41 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.35 5.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 154.43 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -110.69 136.24 50.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.03 126.24 52.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.09 118.31 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mm -114.23 95.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 89.0 m-85 -76.59 -44.14 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.98 62.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.2 m-20 -79.59 88.68 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 164.65 -52.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.67 -22.89 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -148.84 89.74 4.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.2 7.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.554 1.818 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -58.62 -59.68 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 3.4 mp -74.23 142.39 78.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -79.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -136.31 162.04 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -135.33 142.63 45.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -125.37 110.94 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.484 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.3 pt -107.86 151.25 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.34 118.44 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -120.44 158.82 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 m -124.29 158.87 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.425 ' CG2' HD23 ' A' ' 88' ' ' LEU . 68.8 p -76.33 67.31 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.07 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.365 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -47.91 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -128.64 -179.17 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.88 70.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.99 -49.24 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.72 -52.1 54.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.99 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.451 HG13 ' CB ' ' A' ' 54' ' ' PRO . 8.4 t -47.93 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.84 -58.88 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -45.59 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -54.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' CD2' ' A' ' 57' ' ' TYR . 40.1 mt -49.59 -67.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.56 -50.37 42.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 11.5 mmtt -53.57 -42.8 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 1.3 m-85 -72.66 -35.71 67.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.73 38.29 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -122.61 60.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.19 45.02 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -154.3 -46.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.45 173.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.22 117.65 61.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.451 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -15.23 57.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -86.45 -38.99 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CD2' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -90.94 146.48 23.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.8 p -127.85 -179.1 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.4 mm -111.4 99.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.63 120.74 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -89.6 130.83 35.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.24 122.08 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.519 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -109.65 119.19 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.407 HD13 ' CB ' ' A' ' 76' ' ' ALA . 1.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.407 ' CB ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -124.07 137.64 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -104.57 157.91 16.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mt -134.96 113.8 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.4 mm -49.61 144.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.3 mt -92.79 152.39 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.74 -40.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -106.14 34.13 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 169.14 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 7.3 m -111.07 111.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -16.85 19.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' A' ' 32' ' ' THR . 13.3 tp -85.72 -66.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -50.0 -41.09 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 38.0 mt -54.62 -56.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.89 -46.26 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -43.86 -51.49 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -101.96 47.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.59 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.9 t-105 -100.23 131.53 23.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.59 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.02 123.0 7.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.2 p -62.76 -41.72 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.56 -42.03 67.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.448 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -54.07 -33.67 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.94 -172.69 19.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.53 154.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.01 139.95 53.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.613 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -147.62 140.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -115.21 102.7 10.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -95.2 144.88 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -102.88 119.77 39.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -159.35 -175.45 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.494 ' O ' ' CE ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -123.39 155.22 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.353 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -134.92 125.15 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.362 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.68 102.03 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.66 94.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.701 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 91.8 m-85 -68.72 -44.91 72.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 42.94 44.64 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.11 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' ALA . 23.0 t -172.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.39 -33.01 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -139.29 93.07 10.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -42.87 -61.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.2 mp -73.01 140.66 80.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 -55.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -159.78 166.67 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.3 mptt -134.69 146.04 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.3 p -126.13 110.85 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.464 HG22 ' CE ' ' A' ' 46' ' ' LYS . 5.9 pt -112.32 155.39 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -75.79 111.31 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -114.84 160.48 19.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' THR . 3.3 m -123.42 143.91 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' SER . 76.1 p -38.35 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.9 m -91.71 -96.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' OD1' ' CD2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER 45.9 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -145.1 149.48 35.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.23 78.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -39.12 90.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 37.3 t80 -71.13 -51.53 24.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.43 76.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG13 ' CB ' ' A' ' 54' ' ' PRO . 2.9 t -51.84 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.81 -56.98 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.7 mm-40 -42.81 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 11.9 t -39.13 -57.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.506 HD21 ' CE2' ' A' ' 57' ' ' TYR . 23.9 mt -44.65 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -52.5 -52.03 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CE ' HG22 ' A' ' 28' ' ' ILE . 4.5 mmtt -50.17 -40.1 45.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.0 m-85 -77.54 -31.67 53.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.3 -3.93 7.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.33 58.87 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.58 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -155.05 -45.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.46 172.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.33 115.75 65.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -26.73 10.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -64.65 -12.43 45.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -91.71 -33.39 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CE2' HD21 ' A' ' 44' ' ' LEU . 8.5 m-85 -95.3 139.68 31.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.8 p -127.12 172.52 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' CD1' HG21 ' A' ' 40' ' ' VAL . 25.9 mm -97.83 112.43 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.13 120.96 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG3' ' CE ' ' A' ' 63' ' ' MET . 13.0 ptt180 -89.17 133.22 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.4 t -107.2 113.53 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.557 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 1.2 mtm -109.67 127.36 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.23 120.51 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -103.8 152.04 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.3 mt -130.35 120.85 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mm -60.29 160.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mt -120.46 158.61 26.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -171.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -102.95 33.28 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -169.86 35.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.33 179.98 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.46 101.99 23.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.52 21.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 12' ' ' LEU . 11.2 tp -85.79 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.13 -47.37 81.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.3 mt -46.85 -49.79 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.71 -43.3 84.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -54.41 -30.37 52.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -109.2 34.34 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.602 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -91.48 135.63 27.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.01 -13.53 21.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER 69.43 -61.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -41.66 -47.85 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.417 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 22.0 mttt -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' SER . . . 144.31 151.56 5.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.27 149.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.4 133.54 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.701 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.4 t -147.95 144.02 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -116.17 108.41 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.3 150.28 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tp -109.13 117.1 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -167.52 157.43 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.441 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -43.43 160.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -127.83 167.44 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.79 125.6 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.08 105.98 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.406 ' O ' ' OH ' ' A' ' 47' ' ' TYR . 7.9 mm -103.86 83.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.631 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 91.6 m-85 -60.41 -47.84 84.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.52 58.37 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.1 65.36 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -165.53 -66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.01 -40.15 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.29 92.08 21.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.23 9.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -51.61 -59.21 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.7 mp -76.08 140.64 70.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -46.06 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -166.97 160.22 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -140.1 146.71 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.8 p -128.6 113.75 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.47 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 9.2 pt -106.13 159.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 29' ' ' LEU . 1.6 mm? -77.08 107.0 9.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.32 160.15 21.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 m -124.02 179.4 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -93.79 22.59 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -128.02 -43.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 p -117.37 176.7 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.78 -54.25 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.12 -44.12 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -65.04 -54.41 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.77 55.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG11 ' CB ' ' A' ' 54' ' ' PRO . 43.0 t -45.81 -70.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.29 -53.77 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.74 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -39.4 -50.22 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.407 HD23 ' CD2' ' A' ' 57' ' ' TYR . 36.2 mt -52.92 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 25.8 mt-10 -52.55 -52.76 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 17.4 mmtt -46.77 -48.9 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' OH ' ' O ' ' A' ' 14' ' ' ILE . 2.8 m-85 -67.2 -25.0 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 121.93 -7.9 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.27 65.21 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.236 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -91.67 41.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -152.31 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -45.83 169.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.51 121.17 54.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.93 -14.42 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -13.25 59.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 18.3 m-20 -90.13 -14.52 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -123.0 168.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.9 p -150.61 -171.45 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 4.9 mm -112.41 99.78 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -95.29 119.29 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 28.0 ptt180 -88.89 134.3 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.4 t -110.15 121.03 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 mtm -108.07 120.99 43.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -130.06 138.53 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.53 155.02 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.23 114.77 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.413 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.3 mm -51.77 149.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 4.7 mt -96.26 161.45 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.84 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 165.35 -35.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.38 24.8 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.98 177.57 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.47 118.24 21.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -37.76 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.39 -55.63 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.01 80.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.57 -49.36 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 50.7 t80 -52.68 -53.79 42.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -47.96 74.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.9 51.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.527 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 73.7 t-105 -121.45 130.98 24.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.0 99.26 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -46.0 -25.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -42.14 96.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.462 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.4 mtpp -55.91 -24.77 39.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.43 -179.61 16.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.47 154.25 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.498 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 12.2 tp -121.84 137.76 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.631 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.1 t -146.55 141.04 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.498 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 42.5 m-85 -114.47 104.92 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -99.63 150.16 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.07 120.76 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.88 173.97 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -52.87 154.82 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 p -129.61 167.53 17.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.31 122.94 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -84.76 109.52 18.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mm -103.86 83.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.616 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 82.9 m-85 -53.99 -48.77 70.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.33 73.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -93.45 44.67 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 48.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.21 -41.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG3' ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.48 86.43 58.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -75.03 168.17 25.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.0 m-20 81.75 -56.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 2.8 mp -62.34 142.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.0 -80.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -144.33 152.48 40.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.85 145.96 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.7 p -131.3 111.45 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.463 HG21 ' CE ' ' A' ' 46' ' ' LYS . 4.8 pt -107.6 154.12 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 29' ' ' LEU . 1.7 mm? -74.32 118.03 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.2 tp -120.94 158.93 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.0 m -124.05 171.07 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -85.21 6.82 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.5 p -118.58 -35.89 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -48.96 176.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -127.07 -175.4 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.5 -53.0 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.06 -45.5 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.78 -57.97 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.0 -46.07 68.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 54' ' ' PRO . 2.6 t -50.24 -69.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.412 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -41.97 -48.59 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -57.16 -56.71 18.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 t -48.24 -52.17 22.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.4 mt -47.6 -68.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' GLY . 20.9 mt-10 -49.42 -59.68 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' CE ' HG21 ' A' ' 28' ' ' ILE . 3.9 mmtt -40.26 -50.39 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' HG3' ' A' ' 20' ' ' LYS . 2.3 m-85 -68.43 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 123.49 39.02 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -124.29 59.9 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.45 -46.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.39 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 8.2 t30 -114.08 122.44 34.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' CB ' HG12 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -75.03 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -11.98 47.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -89.52 -33.71 16.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 27.2 m-85 -101.62 134.62 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 178.94 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.417 ' CD1' HG22 ' A' ' 40' ' ' VAL . 29.9 mm -101.95 105.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.11 119.32 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -89.33 130.22 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.67 120.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.405 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -107.96 125.74 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 124.02 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.34 156.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.4 114.19 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 mm -50.2 155.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.3 mt -106.59 152.99 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.81 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.99 -45.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -92.95 23.12 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.72 179.43 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -132.82 112.24 13.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.598 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -12.02 21.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 tp -91.89 -56.3 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -35.04 73.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 62.4 mt -64.12 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -54.26 -59.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -30.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.61 42.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.1 t-105 -115.61 130.85 24.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.568 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.04 112.68 3.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.0 p -58.11 -20.67 41.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -46.29 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.7 mtpt -50.56 -36.01 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.55 -166.93 25.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -78.47 154.79 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 15.7 tp -122.07 138.39 54.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.616 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.72 142.87 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 70.6 m-85 -119.76 107.94 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -98.76 168.32 10.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.3 tp -117.33 101.13 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -130.26 172.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.35 120.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -158.52 133.26 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.01 106.08 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.95 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.696 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 98.1 m-85 -57.05 -48.66 77.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.23 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.51 53.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.5 t -178.53 48.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -170.66 -41.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -136.96 92.88 13.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -42.18 -59.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 3.9 mp -79.94 140.27 54.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -129.64 157.1 43.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.1 tptt -132.43 142.37 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.7 p -124.57 111.03 15.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 5.4 pt -109.84 155.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.91 108.14 12.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.17 159.04 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -123.97 143.12 50.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 p -53.96 -22.42 10.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -86.56 -39.72 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -53.61 163.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.0 p -126.86 -169.08 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.81 -46.65 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.42 -44.61 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -71.88 -53.66 12.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.4 -44.33 65.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 54' ' ' PRO . 24.4 t -48.99 -68.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.2 -54.63 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.1 mm-40 -48.69 -68.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' GLU . 32.7 t -38.77 -53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.553 HD21 ' CE2' ' A' ' 57' ' ' TYR . 44.2 mt -48.99 -66.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.61 -53.61 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.482 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 22.8 mmtt -46.2 -53.01 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 2.3 m-85 -64.64 -26.38 68.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.87 32.21 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.5 65.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -94.94 44.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.02 -46.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -49.68 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.17 122.54 41.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' CB ' HG12 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -75.02 -25.78 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 4.8 mtmt -66.18 -11.31 48.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.19 -32.34 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.553 ' CE2' HD21 ' A' ' 44' ' ' LEU . 13.1 m-85 -103.22 142.71 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.25 174.69 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.438 ' CG1' HG23 ' A' ' 40' ' ' VAL . 10.7 mm -102.46 110.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -103.36 121.85 43.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 16.5 ptt180 -89.48 127.43 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HA ' ' CB ' ' A' ' 78' ' ' GLU . 38.4 t -100.05 115.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -111.51 126.93 55.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -132.08 138.73 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -112.63 160.69 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.3 120.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 4.2 mm -54.44 153.84 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mt -102.67 167.31 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.96 -42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -97.28 24.33 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.11 -174.29 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.486 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 1.6 p -134.42 108.52 11.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.533 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -28.73 8.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 12' ' ' LEU . 16.5 tp -77.53 -60.92 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -51.53 -42.89 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 47.9 mt -58.21 -48.55 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -63.27 -43.51 97.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.53 -40.24 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.97 55.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.0 t-105 -116.16 131.46 23.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.573 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 119.09 5.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.7 p -60.86 -34.78 75.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -41.87 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 0.8 OUTLIER -54.59 -31.64 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.58 167.35 11.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.67 152.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.0 tp -122.28 135.88 54.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.696 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.4 t -145.82 139.33 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 52.2 m-85 -114.75 111.72 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -100.08 165.44 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.73 119.38 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 175.62 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 p -124.21 166.99 14.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.79 126.51 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 94.98 9.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.0 86.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.667 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 85.3 m-85 -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' TYR . . . 39.47 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.42 67.74 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -171.06 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -136.4 92.25 15.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -143.47 -56.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 3.6 mp -71.55 142.46 86.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -57.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -161.3 160.62 29.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' CD ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -131.68 145.48 51.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -126.59 111.3 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.7 pt -108.92 153.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -75.35 110.38 9.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.48 160.66 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 p -123.83 141.29 52.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 p -45.26 -27.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -111.15 57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -114.7 169.42 9.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -121.26 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.53 89.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -35.34 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -73.27 -50.81 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 HG13 ' CB ' ' A' ' 54' ' ' PRO . 2.9 t -44.15 -66.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -56.35 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -47.57 -68.97 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.9 t -38.55 -56.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 57' ' ' TYR . 35.7 mt -45.02 -66.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.1 -52.63 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 6.2 mmtt -47.61 -50.05 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 3.9 m-85 -65.16 -30.2 71.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.3 6.04 9.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.97 54.25 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -82.81 50.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -45.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.45 170.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.594 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 1.3 t-20 -98.95 127.19 35.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 -2.42 12.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.19 3.36 55.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -108.99 -11.48 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 5.5 m-85 -126.96 142.37 51.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.64 -175.03 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.491 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 14.7 mm -109.79 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -98.06 120.95 39.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 26.2 ptt180 -89.45 134.62 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 t -108.34 114.04 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.41 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.3 mtm -110.56 132.52 54.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 123.18 26.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.89 150.38 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -132.95 117.65 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 4.9 mm -47.99 154.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 4.4 mt -101.64 155.55 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.02 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.64 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -109.0 35.26 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -178.47 6.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 9.6 m -129.27 106.23 17.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -29.0 8.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.444 HD13 ' CZ ' ' A' ' 92' ' ' ARG . 22.0 tp -74.07 -53.5 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.411 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 57.4 mt -63.42 -48.11 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.83 -48.84 59.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.444 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -61.27 -49.23 77.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.04 47.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.2 t-105 -116.64 131.92 23.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.596 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.93 126.56 10.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.3 p -67.52 -33.29 74.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -31.94 72.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 4.1 mttt -64.33 -28.14 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.25 177.37 15.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.02 150.53 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.82 137.49 54.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -147.17 149.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 61.2 m-85 -119.02 118.18 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -108.89 163.59 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.98 120.61 29.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 177.72 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 139.94 58.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.447 ' NH1' ' C ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -168.14 131.93 1.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -95.36 128.57 42.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.67 -155.25 7.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 55.1 89.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.759 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -148.66 137.32 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.3 -113.38 4.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 t -135.55 -54.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 0.783 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.65 -74.25 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.49 166.98 16.36 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -129.38 151.3 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -139.19 127.22 22.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' CG ' HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -89.72 103.93 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -95.88 89.69 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.592 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 92.4 m-85 -66.54 -46.44 76.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.3 62.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.67 81.39 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.29 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 -34.3 74.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -143.96 92.35 6.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -38.92 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -44.64 -56.88 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 5.3 mp -78.11 142.07 63.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 -82.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -130.48 155.52 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -126.67 144.54 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.405 HG21 ' CG ' ' A' ' 13' ' ' ARG . 20.7 p -131.69 120.35 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.483 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.0 pt -122.14 151.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -71.28 108.26 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.377 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -109.11 160.14 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.2 m -124.18 168.13 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -86.81 50.65 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 17.7 m-20 -41.81 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -106.53 -174.41 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.73 16.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -43.41 -54.84 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -51.43 -56.36 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.35 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG11 ' CB ' ' A' ' 54' ' ' PRO . 3.1 t -44.31 -64.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.05 -58.13 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' CB ' HD13 ' A' ' 28' ' ' ILE . 5.7 mm-40 -46.6 -62.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.4 t -46.87 -48.19 21.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 54' ' ' PRO . 13.8 mt -52.96 -66.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.7 -49.32 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 4.1 mmmt -45.8 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -54.83 -24.41 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.71 33.24 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.61 54.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.26 47.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.18 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -48.19 165.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.75 114.11 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.01 -15.83 20.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.78 -23.61 55.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.66 -42.22 29.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -89.05 148.92 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.21 -171.6 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.41 HD11 ' CG2' ' A' ' 40' ' ' VAL . 7.4 mm -112.17 99.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -90.31 119.11 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 28.6 ptt180 -89.21 134.54 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 t -108.33 119.41 57.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtm -112.09 130.69 55.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 73' ' ' GLU . 1.5 mm? -71.41 153.03 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 166.87 28.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.39 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.789 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.87 68.74 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -141.14 132.49 26.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.95 71.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -164.49 -54.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -172.86 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.78 147.86 25.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 64' ' ' LEU . 1.4 mp0 48.27 28.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 106.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.18 56.21 2.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.34 147.5 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 122.02 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -97.26 153.0 18.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.91 117.0 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 6.7 mm -50.6 155.62 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.86 159.08 15.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.22 -36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.25 28.12 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.84 -176.37 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.4 m -129.62 110.06 17.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.01 -14.13 21.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 12' ' ' LEU . 21.1 tp -93.61 -55.98 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -56.73 -44.71 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.36 -53.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.98 -50.18 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.36 -42.23 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -115.29 52.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 67.6 t-105 -110.87 131.2 22.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -64.71 -32.06 73.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.17 -36.41 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.3 mtpt -64.89 -19.41 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.58 165.33 14.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -58.13 155.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 5.0 tp -122.25 132.7 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.592 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.9 t -137.02 141.04 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 51.0 m-85 -115.99 102.82 9.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -97.35 153.17 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 40' ' ' VAL . 5.4 tp -107.18 113.05 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.13 160.67 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -51.63 154.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.42 161.42 31.71 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 120.48 6.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.6 92.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.47 165.04 33.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.19 40.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m 56.23 104.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.441 ' OG ' ' NH2' ' A' ' 107' ' ' ARG . 6.3 p -71.77 -57.98 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 58.21 93.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.16 -97.74 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t -94.55 92.6 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 0.714 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -86.46 128.84 35.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.5 65.08 0.6 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.74 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 0.728 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 37.87 -130.27 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.58 -137.8 2.44 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -140.23 126.16 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -86.24 117.59 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mm -114.39 84.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.69 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.8 m-85 -58.03 -48.07 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.4 64.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -85.66 80.82 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.41 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.97 -37.35 87.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 6.7 mmtt -141.76 94.38 7.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.44 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -50.08 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.3 mp -75.69 141.27 72.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -88.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -122.11 160.79 24.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -136.12 144.33 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.7 p -131.32 111.48 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 6.1 pt -108.03 156.42 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 29' ' ' LEU . 1.8 mm? -76.16 107.78 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -110.58 160.07 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.13 175.44 7.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -92.86 33.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.22 -45.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -52.8 174.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.7 p -128.76 -167.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.77 -40.96 89.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -71.53 -52.85 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.82 -43.37 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' A' ' 54' ' ' PRO . 9.0 t -48.78 -67.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.9 -53.02 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 50.0 mm-40 -52.49 -68.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 19.8 t -38.19 -59.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD23 ' CE2' ' A' ' 57' ' ' TYR . 26.9 mt -40.61 -66.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.35 -52.97 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 6.5 mmtt -45.43 -41.27 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.1 m-85 -79.22 -31.33 43.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.4 37.81 0.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.02 56.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -89.31 48.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' GLU . 1.3 mtpt -155.77 -45.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 51' ' ' LYS . 19.0 mm-40 -51.53 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.551 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -109.3 123.54 36.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.96 -31.0 6.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.557 1.82 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -66.44 -11.99 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.21 -34.2 20.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 42.0 m-85 -98.91 153.81 18.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -137.58 165.88 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 108.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 18.5 mm -97.6 115.14 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.88 125.55 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 19.7 ptt180 -89.29 121.07 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 78' ' ' GLU . 2.6 t -98.65 121.64 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.537 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -107.79 121.18 44.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -79.45 147.29 67.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 163.97 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 84.98 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.551 1.816 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.35 80.68 1.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.83 -175.37 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -105.55 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.45 154.94 19.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.611 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m 43.38 58.35 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER 174.46 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 57.36 -86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' ASP . 2.5 mtt180 61.35 78.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.23 -18.98 4.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.49 126.58 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -128.75 137.68 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 62' ' ' VAL . 1.1 pt-20 -113.9 147.8 37.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -123.16 127.46 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mm -56.99 147.43 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 6.9 mt -95.39 168.88 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 4.3 t0 -55.98 -67.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 1.7 t0 156.13 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -106.13 15.96 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.82 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 m -116.21 107.22 47.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.574 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -10.71 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.2 tp -94.73 -54.03 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.64 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.5 mt -56.61 -49.9 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 15.1 t80 -53.07 -60.61 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -31.69 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -103.93 44.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.572 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.3 t-105 -115.61 130.76 24.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.94 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.5 p -56.31 -26.91 53.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.63 -33.55 76.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.454 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 5.1 mtpp -69.13 -17.57 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.16 -166.8 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.5 mm -80.73 157.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 10.7 tp -121.89 142.06 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.7 t -145.99 146.61 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 54.3 m-85 -122.19 104.9 9.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -98.41 160.69 14.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 128.4 52.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.45 174.89 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 163.87 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.98 152.21 62.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.25 5.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 t 61.96 75.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.55 -147.47 10.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.8 4.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.0 p -104.55 156.88 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.0 t -141.93 127.68 19.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.01 99.67 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -87.81 162.0 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 131.21 2.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -58.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -61.27 164.26 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.21 -111.98 3.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m 57.84 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.99 -92.88 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.17 -133.91 1.81 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -129.58 167.52 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 110.394 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.66 127.11 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.24 110.9 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.5 mm -108.36 94.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -64.37 -46.37 83.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 63.39 49.16 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.16 69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER 170.61 -72.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.13 -43.43 66.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -137.56 86.58 18.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.46 18.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -62.39 -72.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -55.01 142.22 57.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -172.08 158.86 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 16.1 mmtt -136.62 152.81 50.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -130.46 132.95 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.3 pt -129.85 158.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.65 104.96 7.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -108.54 159.96 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -124.05 161.6 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.477 ' CG2' ' NH1' ' A' ' 92' ' ' ARG . 18.9 p -80.31 54.9 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ASP . 3.8 t -174.99 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' THR . 8.1 m-20 -39.92 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -100.95 164.06 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.11 -18.13 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.99 -43.16 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -65.38 -41.49 93.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.64 79.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.485 HG13 ' CB ' ' A' ' 54' ' ' PRO . 5.2 t -49.21 -56.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.16 -60.71 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' CB ' HD11 ' A' ' 28' ' ' ILE . 34.7 mm-40 -44.27 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -42.57 -55.35 3.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -44.65 -64.36 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 19.7 mt-10 -46.49 -53.84 10.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 6.0 mmmt -41.84 -63.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 21.4 m-85 -57.73 -25.55 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 115.39 3.05 21.17 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -79.43 55.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.88 46.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -156.17 -46.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 7.6 mm-40 -44.33 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.01 113.8 59.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.485 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -74.99 -8.23 19.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.11 -22.43 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -80.95 -40.09 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 4.9 m-30 -88.32 158.59 18.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.81 -176.22 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.74 114.96 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -100.54 122.41 43.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' CD ' HD22 ' A' ' 81' ' ' LEU . 24.8 ptt180 -89.48 133.1 34.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -107.94 117.12 52.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.1 mtm -106.47 122.53 46.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.32 150.45 91.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.57 24.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.76 -32.01 80.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.1 135.8 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.67 54.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.61 171.48 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.641 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.4 p -88.95 82.62 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 178.4 136.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.45 97.5 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 107.1 17.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.54 145.37 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.8 tttt -117.76 139.02 51.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.3 pt-20 -116.84 150.67 38.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.7 mt -127.76 127.69 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.4 mm -56.72 156.32 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.456 HD22 ' CD ' ' A' ' 61' ' ' ARG . 63.1 mt -114.41 166.0 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.52 22.79 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 30.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' OE1' ' CD1' ' A' ' 90' ' ' ILE . 0.9 OUTLIER -82.06 168.98 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.485 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 6.5 m -117.34 100.02 52.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -19.58 17.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.5 tp -88.69 -62.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -49.96 -40.28 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 45.1 mt -57.74 -60.47 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -43.19 -54.17 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.477 ' NH1' ' CG2' ' A' ' 32' ' ' THR . 2.2 mpt_? -54.72 -41.29 70.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -100.8 41.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 101' ' ' LEU . 70.9 t-105 -113.45 131.04 23.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 109.85 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.5 p -52.44 -31.28 33.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.83 -43.6 94.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.8 mtpp -55.7 -23.39 28.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.56 167.21 12.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.0 154.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.2 tp -121.91 139.95 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.8 151.22 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 74.1 m-85 -125.41 113.76 17.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -107.19 142.04 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -90.14 113.23 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 164.43 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 177.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.96 73.93 65.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.19 23.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.46 38.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.6 m -146.96 145.02 29.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 145.38 -146.23 16.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -20.13 17.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m 53.33 81.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.959 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.2 p -93.18 -56.53 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.19 128.56 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 0.0 110.045 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -158.12 120.94 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 139.24 1.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -113.18 100.26 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -105.45 165.31 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.045 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.63 -144.28 18.38 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.544 1.152 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 p -160.71 85.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.56 178.25 48.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.07 -139.09 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 p -129.63 167.62 17.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -147.2 122.81 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' N ' HD13 ' A' ' 12' ' ' LEU . 3.9 mtt180 -78.49 115.61 18.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -114.54 85.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.7 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.7 m-85 -60.15 -47.94 83.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 42.89 49.72 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -73.38 78.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.63 -54.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.67 -34.66 78.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 3.0 mmtt -141.59 91.82 8.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.92 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -54.92 -56.97 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.6 mp -80.85 141.08 50.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -46.08 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.61 156.68 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -141.88 144.22 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -125.67 118.79 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 7.6 pt -106.4 157.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 29' ' ' LEU . 1.7 mm? -75.24 107.33 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.67 159.78 17.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.01 176.33 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 p -96.45 37.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.74 -45.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.86 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 7.3 p -123.84 -172.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.51 -42.75 61.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.9 -48.41 51.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.67 -52.18 61.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.83 -40.85 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 54' ' ' PRO . 20.0 t -53.1 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.44 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.2 mm-40 -45.13 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' GLU . 44.1 t -38.09 -56.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.2 mt -46.47 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.12 -50.51 58.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 11.5 mmtt -52.21 -41.85 63.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.55 -20.86 58.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.34 3.93 27.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.49 57.57 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -153.9 -46.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.47 171.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.89 116.63 66.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.472 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -75.02 -27.78 9.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.7 62.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.09 -40.74 14.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.99 152.29 20.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -176.82 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mm -110.27 109.43 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -104.08 121.79 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 27.0 ptt180 -89.73 133.11 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 t -105.28 118.65 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.9 mtm -111.65 122.25 47.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 64' ' ' LEU . 1.2 mm? -71.47 154.9 93.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 170.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.82 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.12 79.1 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.38 -75.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -167.55 151.44 6.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -122.21 62.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.62 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.7 -173.93 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 102.64 11.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 102.0 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.0 48.92 18.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.61 154.89 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.56 118.83 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.79 152.12 22.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -134.34 117.32 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.471 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 5.1 mm -50.72 158.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 61' ' ' ARG . 4.7 mt -115.34 -177.63 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.58 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -118.16 13.11 13.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 2.7 p-10 -146.6 22.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.77 177.52 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.423 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 39.1 m -133.07 104.09 12.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.517 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.02 -13.97 21.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 92' ' ' ARG . 9.7 tp -88.66 -62.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -52.9 -40.48 63.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 44.6 mt -55.97 -63.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -41.69 -52.83 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.432 ' CZ ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -54.62 -42.68 71.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.88 45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.0 t-105 -115.98 130.83 24.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 120.38 6.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.7 p -64.96 -21.71 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.24 -34.29 75.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.1 mtpt -66.22 -29.33 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.21 -174.67 19.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -75.18 154.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.553 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 8.1 tp -120.64 138.77 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.7 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.5 t -147.4 140.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 67.6 m-85 -114.9 113.94 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.31 163.96 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tp -123.31 109.63 14.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 -177.55 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 166.63 7.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.3 154.95 72.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.92 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -57.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -118.77 97.2 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.14 157.59 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.93 11.08 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 t -136.09 -58.46 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.4 t -49.63 143.01 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -173.86 112.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -162.76 133.86 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.3 -125.71 3.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -162.06 132.3 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 159.36 4.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.54 -133.44 30.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -131.3 166.24 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.19 -77.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.81 171.76 30.45 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -129.51 148.21 51.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.73 132.33 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.4 107.23 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mm -98.24 83.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.648 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 91.8 m-85 -59.77 -48.76 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.83 -71.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' TYR . 8.0 t70 48.09 38.13 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -151.72 -55.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.58 -25.87 61.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -146.52 96.47 4.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -44.19 -60.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 5.1 mp -75.32 142.07 74.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 -84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.21 156.76 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' CD ' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -124.1 146.87 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.4 p -129.35 113.5 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.488 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.1 pt -117.33 153.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.54 103.63 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 0.9 OUTLIER -105.28 159.23 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 p -124.65 173.81 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.0 p -88.23 40.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -151.16 -44.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -38.86 157.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 1.4 p -112.89 148.72 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.26 -25.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.51 -43.35 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' THR . 7.2 t80 -69.69 -46.6 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.92 67.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 59' ' ' ILE . 2.5 t -41.21 -63.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.12 -58.79 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.45 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 46.4 t -43.1 -56.43 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 54' ' ' PRO . 19.5 mt -42.74 -63.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.0 mt-10 -46.01 -54.13 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 2.8 mmmt -42.22 -66.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 105.43 28.06 5.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.95 54.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.53 45.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -154.11 -46.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.76 165.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -90.6 112.67 54.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -15.8 20.59 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -76.65 -19.42 57.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -32.7 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 2.5 m-30 -94.41 149.17 21.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.41 -173.41 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 108.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.415 ' CD1' HG23 ' A' ' 40' ' ' VAL . 16.6 mm -113.03 103.08 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 80' ' ' ILE . . . -97.42 119.9 36.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.552 ' NE ' ' CD2' ' A' ' 81' ' ' LEU . 19.2 ptt180 -89.08 135.84 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.1 t -105.97 116.62 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.499 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -101.04 115.27 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.52 155.25 91.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.75 19.73 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -43.15 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.99 56.57 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.65 179.35 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -84.18 51.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 78.25 -62.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -144.47 -46.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 110.038 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -40.61 127.06 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.17 98.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 94.33 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.5 49.18 27.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.81 145.32 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 125.82 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.08 154.38 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.67 124.69 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.474 HD13 ' CB ' ' A' ' 60' ' ' ALA . 10.0 mm -60.38 150.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' CD2' ' NE ' ' A' ' 61' ' ' ARG . 4.8 mt -105.4 -176.18 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -176.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.95 13.74 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.64 40.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.83 164.92 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.4 m -106.96 106.68 58.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.522 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.0 -20.55 16.75 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.452 HD11 ' CZ ' ' A' ' 92' ' ' ARG . 16.5 tp -86.04 -54.13 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -34.67 66.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 71.4 mt -69.96 -48.66 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.74 -43.49 47.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.452 ' CZ ' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.52 -46.18 87.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.87 42.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.4 t-105 -113.75 130.98 23.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 120.81 6.22 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.8 p -63.18 -32.35 73.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.39 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.6 mtpt -63.16 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 129.08 176.87 14.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mm -65.87 154.62 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 6.9 tp -122.36 137.71 54.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.648 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -145.6 142.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.545 ' CZ ' HD23 ' A' ' 101' ' ' LEU . 68.0 m-85 -115.3 111.03 20.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.99 168.61 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -125.59 106.36 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 168.46 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 169.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.77 161.92 56.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.84 3.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.86 6.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.86 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 165.84 157.17 9.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.81 86.38 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.81 110.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -74.25 81.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.51 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.65 148.12 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -66.61 142.56 57.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.07 100.39 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 96.58 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.3 p -179.4 143.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.83 -138.46 13.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -137.23 4.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 p -129.64 167.35 18.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.345 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.26 125.16 18.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.16 117.02 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mm -111.56 80.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 84.1 m-85 -54.62 -48.82 71.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.94 87.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 18' ' ' SER . 27.7 t0 -100.64 64.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 162.19 53.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -173.82 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 49' ' ' LEU . 7.6 mmtt -143.75 91.86 6.59 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.69 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.06 -56.32 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 5.0 mp -84.61 140.96 38.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 -76.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.23 137.11 53.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -121.92 117.29 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.47 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 5.5 pt -117.92 156.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -76.43 104.61 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.6 tp -106.84 158.91 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.47 HG22 ' CD2' ' A' ' 88' ' ' LEU . 20.9 p -91.62 47.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.48 -44.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -48.66 173.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.7 p -120.52 174.51 6.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.89 -30.7 70.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.74 -40.03 95.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -69.49 -49.51 54.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.52 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.478 HG13 ' CB ' ' A' ' 54' ' ' PRO . 2.7 t -42.71 -59.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.11 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.15 -64.57 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.22 -48.5 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.3 mt -53.87 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 3.9 mmmt -44.9 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -55.53 -23.3 25.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.21 14.49 13.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' ' HE3' ' A' ' 20' ' ' LYS . 2.1 mm? -89.26 54.89 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.48 43.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -150.14 -46.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.55 172.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.15 117.36 65.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.97 -11.2 21.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -13.09 55.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.03 -40.99 12.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -91.63 148.05 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -173.91 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 15.1 mm -108.78 105.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -97.45 119.66 36.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 12.2 ptt180 -89.21 125.94 35.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -103.64 115.4 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.563 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -105.33 117.57 34.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -71.79 154.52 92.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.86 32.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 84.59 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.12 61.35 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.41 145.72 50.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.93 104.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -47.75 156.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.598 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.95 -59.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.96 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.61 122.1 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -116.98 84.84 2.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -99.39 -59.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.69 68.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.28 147.98 40.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.733 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -127.92 122.16 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.34 155.66 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mt -135.61 106.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -42.12 154.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 1.4 mt -103.4 156.44 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.76 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 170.74 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -103.62 30.4 5.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.77 175.73 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 115.01 29.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.483 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 32' ' ' THR . 25.3 tp -83.01 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -50.34 -43.05 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 47.4 mt -56.61 -42.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.25 -51.49 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -54.48 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.33 49.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.7 t-105 -102.8 130.04 24.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 p -66.14 -16.97 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -77.31 -22.17 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 1.1 mttt -76.08 -27.98 57.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.02 179.02 15.56 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.57 154.31 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 10.5 tp -122.08 137.83 54.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.9 t -146.26 141.07 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 47.2 m-85 -116.24 105.6 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -101.01 141.62 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.0 121.53 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 -173.45 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 164.36 26.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.9 161.02 60.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 127.7 10.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.68 120.41 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.11 100.98 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 57.07 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -178.79 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -106.69 109.24 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -110.18 134.04 52.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m 63.51 139.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.28 158.0 19.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.415 1.072 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -82.53 144.42 30.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -159.07 124.31 4.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.75 -78.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.23 154.72 45.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.04 -77.94 0.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.56 161.51 10.29 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -122.6 138.07 54.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.4 134.14 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -95.53 107.52 19.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 mm -106.13 87.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -63.17 -46.69 85.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.06 -64.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t0 39.95 50.42 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -171.3 -58.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 tp -74.65 -25.09 58.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' CG ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -140.48 96.48 7.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 85.9 m-20 63.46 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' PRO . 2.7 mp -39.63 140.97 0.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -139.0 150.41 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -116.76 141.25 48.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.6 p -125.3 110.58 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.472 HG21 ' CE ' ' A' ' 46' ' ' LYS . 3.6 pt -108.38 152.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.3 mm? -73.95 115.48 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -119.97 158.82 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.416 ' CA ' HD23 ' A' ' 88' ' ' LEU . 66.0 m -124.2 173.8 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -88.2 61.92 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.6 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -38.98 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 p -105.65 151.6 24.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.48 62.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -54.35 48.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.96 -48.6 72.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 54' ' ' PRO . 2.5 t -47.86 -58.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.36 -53.77 26.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.4 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.4 p -40.2 -53.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.4 mt -48.85 -67.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.55 -50.81 52.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' CE ' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -52.17 -46.55 65.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -71.07 -25.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.02 29.38 3.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 20' ' ' LYS . 2.3 mm? -112.89 59.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -87.68 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.17 -46.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.11 166.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 116.69 66.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.469 ' CB ' HG12 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.97 -30.16 7.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -65.35 -14.48 60.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -88.46 -39.97 13.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 3.8 m-30 -91.84 147.28 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.76 -171.78 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' A' ' 40' ' ' VAL . 17.0 mm -113.74 104.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.66 120.18 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.55 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 16.3 ptt180 -90.78 133.77 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.8 t -107.44 118.36 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.94 120.26 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.79 156.0 90.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.95 3.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.83 -49.69 0.91 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.53 112.92 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -85.89 -59.56 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.4 p -127.94 78.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.36 102.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.44 85.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.22 -53.48 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.81 55.44 3.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.22 130.94 57.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -113.5 141.36 47.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.2 150.99 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.33 124.87 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 81' ' ' LEU . 10.5 mm -58.78 159.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -118.33 -176.78 3.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -177.72 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.28 20.6 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.32 36.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.49 -177.61 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 1.2 p -129.72 100.27 19.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 108.254 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.416 HD23 ' CA ' ' A' ' 31' ' ' SER . 14.1 tp -72.14 -63.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.31 -46.3 65.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 46.0 mt -53.06 -47.14 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.36 -46.89 72.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -46.39 -44.26 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -108.71 48.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 62.2 t-105 -104.78 131.86 21.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.599 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 132.41 15.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -39.96 72.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.44 -37.63 65.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 3.1 mttp -59.09 -30.56 68.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.16 167.55 12.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.6 149.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.406 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 1.3 tp -122.71 140.17 53.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.0 t -147.85 148.91 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 45.7 m-85 -118.44 109.82 16.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -99.32 141.36 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.35 103.36 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.97 179.33 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 175.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.47 148.13 64.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.98 26.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.65 16.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -80.24 105.42 11.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.14 -86.23 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.97 18.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -161.68 134.12 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.08 141.93 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.34 97.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -107.69 165.83 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.9 -77.32 1.24 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.21 163.32 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -159.8 128.22 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.6 -137.23 4.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.66 155.0 10.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.84 -97.37 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.91 164.26 28.03 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 p -124.99 141.19 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.57 128.29 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -96.34 111.25 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.54 84.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.654 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 89.2 m-85 -55.19 -48.4 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.08 65.65 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.32 70.2 10.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.79 -27.87 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -156.0 95.27 2.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.29 2.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -41.65 -62.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 3.9 mp -70.77 142.29 88.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -55.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE2' HG21 ' A' ' 27' ' ' THR . 6.8 p90 -158.82 163.48 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.09 143.23 51.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.441 HG21 ' CE2' ' A' ' 25' ' ' TYR . 71.3 p -129.25 111.42 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.2 pt -117.01 151.54 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -79.06 106.03 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 2.0 tp -101.57 161.93 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.86 155.45 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.474 HG21 ' CD2' ' A' ' 88' ' ' LEU . 79.5 p -79.09 53.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.54 -43.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.21 179.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 p -125.76 -170.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' ' CG2' ' A' ' 40' ' ' VAL . . . -73.65 -28.6 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.92 -43.91 94.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -67.14 -52.54 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' CB ' HD13 ' A' ' 30' ' ' LEU . . . -58.53 -41.12 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.474 HG13 ' CB ' ' A' ' 54' ' ' PRO . 4.9 t -51.69 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.92 -52.24 14.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -47.87 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 16.6 t -43.8 -56.07 4.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 57' ' ' TYR . 32.5 mt -40.79 -61.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -47.84 -52.15 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 13.4 mmmt -45.68 -64.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 21.1 m-85 -55.54 -24.18 30.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.4 45.29 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -125.41 61.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.5 44.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -45.47 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.79 118.3 63.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.98 -16.62 20.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 1.9 mmtt -72.93 -5.97 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -98.1 -33.9 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.559 ' CE2' HD22 ' A' ' 44' ' ' LEU . 17.2 m-85 -94.87 135.87 35.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.8 p -119.69 -177.13 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' A' ' 40' ' ' VAL . 11.8 mm -117.38 100.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.6 124.25 37.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -89.21 131.47 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.9 t -105.39 115.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.3 mtm -107.89 116.33 31.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.16 154.86 88.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.59 33.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.83 59.61 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -41.83 -65.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 173.21 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 t -68.66 70.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.91 166.19 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.29 103.6 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 89.17 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.89 -55.24 4.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.02 169.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -132.37 118.33 19.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.65 150.87 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -129.86 123.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.427 ' CD1' ' CD ' ' A' ' 109' ' ' PRO . 3.4 mm -55.0 155.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.7 mt -106.85 165.8 11.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.4 OUTLIER -66.54 -13.65 61.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 8.8 t0 88.35 -39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.28 8.78 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.44 172.52 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.33 112.84 63.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -17.35 19.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' A' ' 32' ' ' THR . 39.2 tp -86.35 -65.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -40.81 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.77 -49.47 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.77 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 58.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 68.8 t-105 -116.36 131.5 23.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.582 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.04 119.74 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -62.28 -31.03 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.53 -37.98 82.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 3.8 mtpt -59.34 -31.33 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.69 -177.96 17.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.74 152.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 9.3 tp -122.28 137.13 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.654 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.6 t -147.69 149.95 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 51.0 m-85 -122.73 118.01 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.51 156.2 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.93 172.97 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 141.93 57.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -51.99 124.9 30.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.427 ' CD ' ' CD1' ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.04 129.46 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.5 m -75.02 82.06 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.79 179.43 40.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.21 2.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 167.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -161.11 81.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -102.83 164.11 11.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.19 122.73 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.21 -175.55 30.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.65 125.95 4.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -140.92 141.11 34.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.49 10.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.1 t -155.63 -66.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -82.85 0.14 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 -139.49 4.59 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 p -129.6 167.55 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.41 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.88 127.02 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -87.02 106.36 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -103.65 85.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.57 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 96.1 m-85 -56.93 -48.1 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.13 50.3 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.41 73.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -178.0 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.3 -36.98 33.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.74 90.76 47.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -74.98 170.57 20.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.3 m-20 79.03 -57.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -58.73 142.35 83.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.9 -76.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -145.48 156.43 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' NZ ' HG23 ' A' ' 23' ' ' ILE . 4.7 mptt -127.43 141.39 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -129.43 111.54 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 6.2 pt -105.91 156.05 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 29' ' ' LEU . 1.9 mm? -75.08 104.19 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.4 tp -107.26 159.6 16.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.1 178.21 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.147 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.1 p -88.73 -12.06 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -97.65 -35.99 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -58.68 154.62 14.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.5 p -108.63 -163.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.439 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.41 -57.38 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.82 -53.84 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.88 -41.58 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 54' ' ' PRO . 15.4 t -58.47 -65.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.2 -43.01 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.21 -61.05 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' TYR . 17.3 t -43.57 -57.54 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 57' ' ' TYR . 22.6 mt -41.18 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.4 -55.0 28.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 4.6 mmtt -47.54 -33.66 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.0 m-85 -84.38 -32.8 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.35 -7.05 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -78.13 57.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.46 44.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -154.24 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.42 178.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.29 123.84 36.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.468 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -75.01 -27.5 9.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -62.83 -13.88 39.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -91.22 -35.81 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.53 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.4 m-85 -96.01 139.02 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.0 p -128.4 176.07 8.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 40' ' ' VAL . 10.5 mm -103.24 103.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.0 119.8 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 16.1 ptt180 -89.05 121.46 31.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.29 114.45 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.53 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.89 121.02 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 1.3 mm? -74.56 150.35 86.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.72 32.77 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.97 13.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.449 1.763 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -48.01 38.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.38 -51.64 68.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.804 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER 57.15 45.8 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 11.0 t-80 83.14 108.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -164.47 -65.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.0 m-20 159.23 94.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HA ' ' CB ' ' A' ' 76' ' ' ALA . 31.0 tt0 51.61 -91.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.8 OUTLIER 41.52 68.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ALA . . . 100.52 -30.71 9.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 73' ' ' GLU . . . -39.89 134.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.72 138.57 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.48 159.41 16.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.52 104.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.412 HD13 ' CD ' ' A' ' 109' ' ' PRO . 3.9 mm -47.43 146.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.409 HD21 ' NE ' ' A' ' 61' ' ' ARG . 9.8 mt -107.89 167.2 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.09 20.35 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.82 23.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.47 160.14 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.3 m -113.14 112.07 49.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.487 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -27.19 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tp -76.86 -59.44 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -50.97 -42.74 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.7 mt -56.49 -57.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.27 -46.62 79.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -45.75 -43.88 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -108.51 49.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.585 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.5 t-105 -107.77 131.06 22.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.585 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.99 124.84 8.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.6 p -69.56 -29.08 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -26.86 67.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -68.3 -37.66 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.65 -170.37 24.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.3 mm -79.46 155.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.9 tp -122.18 140.54 52.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.5 t -146.54 138.98 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 39.4 m-85 -115.68 102.6 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -96.96 150.67 20.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.48 117.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.91 155.44 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.0 145.44 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 128.57 92.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' CD ' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.92 128.28 11.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -33.19 4.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.99 66.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.97 161.01 8.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.59 36.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -111.18 136.83 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -78.19 145.85 35.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -134.65 138.18 44.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.91 161.39 40.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.16 64.07 4.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.45 139.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.779 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 m -68.5 -54.23 18.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.4 98.62 2.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.3 p -96.32 139.96 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.057 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.04 -95.43 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.37 -137.83 6.66 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.2 p -129.54 167.53 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.427 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.17 127.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -85.52 113.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.09 85.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.537 ' CE2' HG11 ' A' ' 102' ' ' VAL . 25.7 m-85 -49.92 -49.06 51.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.63 74.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.48 -56.01 8.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.65 68.56 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' CE1' ' A' ' 57' ' ' TYR . 1.9 tp 177.87 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -140.79 86.04 12.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.62 -45.41 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.8 mt -71.71 139.87 83.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.96 -54.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 8.7 p90 -167.81 164.23 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 33.5 mmtt -138.71 146.24 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -124.82 113.9 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 5.2 pt -108.63 157.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -78.19 104.75 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.6 tp -109.05 162.54 14.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -123.56 -176.06 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -101.79 2.22 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -113.76 -23.0 9.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.482 ' CG ' ' CD2' ' A' ' 38' ' ' PHE . 19.6 m-20 -62.35 177.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -130.9 169.14 16.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.19 -38.84 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.48 -52.64 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD2' ' CG ' ' A' ' 34' ' ' ASP . 85.4 t80 -58.75 -49.62 76.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.09 82.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG12 ' CB ' ' A' ' 54' ' ' PRO . 9.2 t -51.41 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.53 -53.77 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.6 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -43.51 -58.17 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 57' ' ' TYR . 38.3 mt -43.83 -68.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.5 mt-10 -49.71 -56.54 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 7.3 mmmt -45.58 -48.44 14.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 1.4 m-85 -68.89 -26.75 65.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.49 26.93 3.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -112.48 62.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.47 44.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -153.07 -46.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -47.96 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -101.53 116.63 63.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' CB ' HG12 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -75.06 -9.52 20.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -81.01 -11.28 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.46 -37.75 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CD2' HD22 ' A' ' 44' ' ' LEU . 10.9 m-85 -91.27 145.16 24.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.9 p -132.57 171.95 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.364 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.7 mm -100.26 112.92 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.16 121.95 45.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CD ' HD21 ' A' ' 81' ' ' LEU . 29.3 ptt180 -89.29 127.66 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 t -108.58 120.32 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.44 122.28 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 1.2 mm? -75.14 153.04 86.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.34 22.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.3 5.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.33 56.05 1.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.66 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 46.71 84.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 99.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' GLU . 70.7 m -165.56 143.16 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.52 76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' SER . 2.3 mm-40 43.34 68.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 89.97 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.6 47.99 81.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.76 135.69 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.18 138.13 50.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.83 155.41 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.5 mt -129.53 115.57 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.6 mm -51.59 148.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.446 HD21 ' CD ' ' A' ' 61' ' ' ARG . 21.6 mt -106.96 167.24 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -168.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.21 30.19 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.93 29.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.77 166.42 12.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.5 p -123.09 109.49 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.546 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -16.72 20.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 tp -83.46 -58.77 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.01 -41.53 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 42.8 mt -55.72 -47.99 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -67.03 -47.33 71.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -46.13 -34.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.49 54.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.585 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 64.0 t-105 -117.0 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.585 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.1 p -67.06 -39.47 86.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -34.32 62.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.5 mtpt -63.65 -27.07 68.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.68 174.18 13.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -65.9 153.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.8 tp -122.0 141.67 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -147.39 157.24 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 67.6 m-85 -131.49 107.59 8.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -97.24 145.91 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.12 130.38 55.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.24 173.51 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.34 146.82 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 116.69 30.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.14 9.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -40.95 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.6 74.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.49 -169.18 14.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.22 27.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -99.61 141.11 32.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.31 -58.53 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.76 -58.45 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -55.04 145.63 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.02 111.31 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.07 -60.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -173.74 135.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.039 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.55 -164.02 10.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.17 96.45 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.52 -156.09 11.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.74 -135.79 1.9 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.79 121.38 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -84.09 115.08 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.0 mm -110.54 82.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 91.6 m-85 -53.82 -48.96 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.35 53.99 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.04 74.6 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -177.04 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.85 -37.71 77.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -129.38 86.12 57.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 49.02 2.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.66 -51.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.1 mp -80.98 140.76 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -167.96 158.13 10.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -141.16 145.68 36.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.5 p -126.61 137.51 53.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.477 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.6 pt -129.12 156.68 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 29' ' ' LEU . 1.9 mm? -72.45 107.08 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -113.84 158.61 20.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 p -124.17 -178.32 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -93.11 18.63 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.9 OUTLIER -128.19 -43.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' THR . 29.8 m-20 -45.2 168.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -118.93 -177.48 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 59' ' ' ILE . . . -73.82 -37.82 64.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.36 -48.61 76.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.82 -51.27 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.73 72.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' A' ' 54' ' ' PRO . 2.7 t -40.28 -60.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.33 -59.07 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' CB ' HD13 ' A' ' 28' ' ' ILE . 7.0 mm-40 -47.49 -61.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.5 t -45.08 -49.26 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 mt -52.99 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -44.35 -50.25 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 8.8 mmmt -44.0 -66.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -54.24 -25.11 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.36 28.39 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.93 56.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.78 47.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -155.92 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -47.74 170.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.49 116.23 66.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.96 -28.07 9.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -22.48 66.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.51 -41.99 30.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -89.75 151.75 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 178.59 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 36' ' ' ALA . 33.2 mm -99.69 106.34 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.26 120.73 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -90.14 131.17 36.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.6 t -103.83 118.24 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.6 mtm -112.85 127.05 56.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.28 148.43 91.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.4 18.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.52 4.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -109.62 71.2 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.66 -61.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 72.85 167.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m170 66.06 -172.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.0 86.7 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -176.22 37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 45.82 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 111.35 23.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.7 57.55 2.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.23 149.31 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.1 ttpt -123.39 138.52 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -114.46 156.95 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mt -135.11 123.2 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.4 mm -56.24 153.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.17 161.48 13.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -48.9 -72.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER 159.86 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.46 23.5 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.91 176.64 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.464 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 63.7 m -125.34 118.71 24.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -30.08 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.43 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.96 -43.27 60.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.464 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 50.3 mt -58.38 -42.45 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -70.01 -40.79 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.89 -43.08 76.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.5 53.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.3 t-105 -114.33 131.58 23.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.03 126.28 9.85 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -66.22 -40.92 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -38.15 57.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 4.4 mtpt -58.95 -35.17 72.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.9 173.87 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 152.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 5.5 tp -122.24 136.48 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.609 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.1 t -147.62 142.6 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -113.97 110.39 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -97.56 165.28 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 tp -113.41 104.19 12.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.62 169.54 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 170.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 77.3 30.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.9 6.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m 65.02 85.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 157.98 87.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.14 40.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 t -131.77 -57.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 94.9 p -92.54 130.01 38.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.91 144.19 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -130.48 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.53 -143.35 1.45 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.81 154.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.49 100.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.32 -119.08 0.91 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.25 140.28 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.6 -92.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.35 170.13 28.87 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 143.16 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.06 128.87 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.57 104.27 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.9 mm -95.88 80.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.671 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 83.8 m-85 -52.72 -49.43 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.42 100.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.3 -48.51 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -85.6 53.71 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 tp -174.2 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HD2' ' CD1' ' A' ' 47' ' ' TYR . 26.4 mmtt -129.59 87.87 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -55.27 -69.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.6 mp -58.13 140.97 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -62.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -156.03 162.5 40.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD3' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -127.35 147.62 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 p -127.53 116.19 19.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.485 ' CG2' ' HG2' ' A' ' 46' ' ' LYS . 6.7 pt -118.37 156.78 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.6 mm? -79.24 112.35 16.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -115.78 159.75 21.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 p -124.02 178.41 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -91.45 29.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.22 -45.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -42.41 163.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.7 179.12 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.56 98.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.97 -48.54 67.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.43 -51.07 71.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.24 -50.87 72.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.2 t -47.23 -58.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.09 -54.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -43.02 -57.57 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CA ' ' HB2' ' A' ' 49' ' ' LEU . 18.4 mt -40.11 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 mt-10 -43.53 -56.67 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG2' ' CG2' ' A' ' 28' ' ' ILE . 9.9 mptt -42.89 -67.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.447 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 6.2 m-85 -51.47 -22.92 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 110.94 19.29 7.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 1.9 mm? -93.97 56.14 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.46 45.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.64 -46.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.54 170.74 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 9.4 t30 -102.77 136.02 19.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -0.57 10.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -10.25 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -9.11 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 8.2 m-85 -128.51 156.63 42.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -139.54 173.74 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 13.5 mm -102.45 111.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -100.16 119.43 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HD3' ' CD2' ' A' ' 81' ' ' LEU . 21.8 ptt180 -89.12 132.81 34.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 78' ' ' GLU . 13.7 t -107.35 115.08 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.7 mtm -109.28 138.61 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.01 153.11 92.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.52 33.2 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 74.05 4.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.6 50.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.36 -52.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 58.62 172.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -63.54 116.33 5.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.6 -58.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.04 106.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -92.15 97.14 10.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 44.01 53.81 6.33 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.76 172.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -132.43 118.12 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HB3' ' CG2' ' A' ' 62' ' ' VAL . 1.4 pt-20 -105.25 150.04 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 mt -133.03 118.85 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 7.0 mm -52.24 152.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -99.48 161.59 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.1 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.99 27.53 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.08 175.33 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 88.1 m -125.6 109.5 25.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.497 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -21.5 15.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 28.3 tp -84.6 -51.29 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.86 -40.64 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.0 mt -61.08 -47.56 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -52.4 -49.84 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.79 92.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.89 42.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -112.91 131.61 22.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.042 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 -36.73 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.02 -38.05 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 5.4 mtpt -60.22 -35.06 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.14 175.18 13.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.8 154.51 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.428 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 6.4 tp -122.04 136.65 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.74 141.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.497 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 77.2 m-85 -113.4 118.42 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.03 132.6 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -138.13 171.63 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 161.89 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.56 115.3 58.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.54 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 138.64 23.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 m -100.94 89.86 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.98 -151.11 5.6 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 60.48 5.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 115' ' ' SER . 8.1 m 49.37 82.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER 79.84 112.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -134.09 91.5 2.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -111.05 115.22 29.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.48 -176.91 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -120.56 125.72 48.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -92.28 165.49 13.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.23 -159.78 25.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.22 -59.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.82 -171.84 40.66 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.02 -134.21 1.61 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -129.37 167.51 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.26 124.7 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.89 112.81 18.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.27 88.59 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.695 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 87.9 m-85 -66.38 -46.8 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 44.14 59.14 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.2 t70 -82.03 82.12 7.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER 167.04 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.34 -18.23 65.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -162.02 91.92 1.37 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.23 5.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -52.48 -46.43 66.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -86.26 140.78 34.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 -73.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -141.72 156.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 19.8 mmtt -128.0 143.07 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.7 p -129.62 111.35 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 12.8 pt -112.11 160.65 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.66 115.67 21.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.74 159.09 20.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -124.15 153.39 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.424 HG23 ' NH2' ' A' ' 92' ' ' ARG . 4.3 p -75.16 56.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.63 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -54.94 155.66 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.7 p -107.57 -178.91 3.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -58.52 -48.13 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' ALA . 54.3 t0 -40.13 -52.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -59.79 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.59 56.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.475 HG11 ' CB ' ' A' ' 54' ' ' PRO . 52.3 t -50.32 -69.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.11 -48.73 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.3 mm-40 -54.4 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.2 p -37.84 -59.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD22 ' CE2' ' A' ' 57' ' ' TYR . 17.7 mt -40.43 -68.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.8 mt-10 -52.69 -54.18 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 32.1 mmtt -46.17 -42.39 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 3.8 m-85 -77.14 -25.2 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.51 22.6 5.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 47' ' ' TYR . 3.1 mm? -103.16 67.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -99.49 56.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -157.62 -51.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.454 ' C ' ' CD ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -55.35 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.89 127.35 27.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -20.16 17.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -4.31 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -95.11 -34.47 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.408 ' CE2' HD22 ' A' ' 44' ' ' LEU . 81.1 m-85 -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 t -138.32 160.71 38.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 14.8 mm -94.56 110.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -102.49 119.85 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 39.6 ptt180 -89.24 135.94 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.6 t -107.89 120.29 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 mtm -110.07 129.04 55.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -71.19 153.43 94.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.82 17.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.32 -50.26 17.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.02 179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.18 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' CD2' HG12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER 179.6 -64.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m -75.77 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 60.02 112.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -72.35 88.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -97.44 101.52 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.53 95.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.24 140.31 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 2.7 tttt -122.13 140.72 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.2 pt-20 -120.68 149.24 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.8 mt -131.3 125.65 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mm -54.63 159.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 179.45 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -76.76 -11.14 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.8 t70 80.22 -1.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -125.14 8.24 7.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.51 -177.55 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 p -119.37 110.17 37.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.04 -11.15 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tp -94.59 -50.26 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -40.95 98.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.52 -50.36 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -46.75 -63.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' NH2' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER -48.57 -36.76 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.22 48.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.563 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.7 t-105 -119.06 129.74 25.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.563 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.97 100.8 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.558 1.82 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -45.2 -26.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -45.13 94.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 17.3 mtpt -58.11 -20.13 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.9 -170.62 14.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 70' ' ' HIS . 1.4 mm -77.19 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.5 tp -121.42 140.13 52.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.695 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 147.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 63.0 m-85 -121.17 117.52 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -107.05 168.12 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.56 132.25 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -176.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 165.34 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -130.56 154.42 81.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.78 6.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.4 p 179.86 89.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.64 100.48 1.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.14 36.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.33 136.83 45.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.76 128.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -171.74 153.57 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.47 161.27 30.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.0 150.08 5.99 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -151.91 -58.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.055 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -146.84 116.54 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.062 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 142.68 46.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 t -131.63 -55.6 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 0.752 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.01 -92.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.77 -134.75 3.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -129.62 167.36 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -141.76 125.59 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' NH2' ' C ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -79.15 114.2 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.453 ' C ' ' NH2' ' A' ' 13' ' ' ARG . 9.1 mm -115.47 91.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 92.6 m-85 -70.3 -46.68 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' TYR . . . 39.14 44.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.76 77.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -179.48 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 tp -87.78 -34.76 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 5.2 mmtp -139.47 88.75 12.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -41.06 -64.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.9 mp -68.51 141.13 92.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.99 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.3 p90 -150.85 153.83 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.78 135.96 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -101.52 125.09 48.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.459 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.8 pt -106.09 154.53 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.54 107.03 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -111.11 161.37 15.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.88 170.87 10.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -91.18 32.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.76 -45.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' CE2' ' A' ' 38' ' ' PHE . 14.2 m-20 -48.3 172.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.4 p -129.24 -170.27 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.71 -47.02 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -28.71 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE2' ' OD2' ' A' ' 34' ' ' ASP . 65.7 t80 -84.46 -56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -33.42 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 HG11 ' CB ' ' A' ' 54' ' ' PRO . 24.2 t -58.33 -60.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.64 -56.58 17.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 mm-40 -42.01 -70.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 45.7 t -38.3 -60.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.3 mt -42.0 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.13 -52.08 38.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 5.7 mmtt -48.05 -53.47 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.03 -25.81 68.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 20.79 5.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -104.29 66.73 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.66 46.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.99 -46.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -47.31 171.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.92 115.71 65.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.07 -24.11 13.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -12.35 60.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -91.07 -39.28 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -90.16 152.35 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 -176.45 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' CG1' HG23 ' A' ' 40' ' ' VAL . 4.8 mm -115.77 106.6 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -98.08 123.4 42.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -89.29 129.87 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 t -104.49 120.23 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -107.9 126.12 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 156.18 86.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.34 35.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -15.96 20.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.64 60.17 0.33 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.75 166.66 32.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.54 133.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 77.06 -179.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m 58.22 164.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.065 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.24 -175.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 6.0 mp0 -95.11 107.72 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -123.17 -42.39 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.15 60.89 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -128.05 152.82 47.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.02 127.71 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.36 153.11 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 mt -131.97 122.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 7.6 mm -52.42 152.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 10.7 mt -99.25 159.1 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.36 -44.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.83 27.19 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.09 167.13 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.455 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 84.7 m -114.36 113.97 45.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.495 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.63 -62.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.34 -41.96 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 37.9 mt -55.03 -55.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.9 -48.16 83.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -43.56 -45.51 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.56 42.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.567 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.1 t-105 -102.86 131.01 22.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.567 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 117.95 5.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.426 1.751 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -61.92 -26.62 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 6.6 mtpt -64.2 -30.43 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . 124.62 147.74 7.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 99' ' ' GLY . 0.4 OUTLIER -39.68 154.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 5.7 tp -121.98 144.01 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 143.26 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.495 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 57.5 m-85 -119.13 113.68 21.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -101.74 166.75 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.23 123.41 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.35 5.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 154.43 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.5 158.63 44.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.53 7.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 t -167.38 80.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.29 -148.57 22.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.58 21.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.1 p -134.53 -62.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.71 125.77 10.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 p -135.94 -57.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -129.56 157.8 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.9 -175.8 38.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -171.91 122.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -109.95 163.28 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.55 152.74 19.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t 58.1 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.37 -99.44 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.21 153.56 9.05 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -110.69 136.24 50.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.03 126.24 52.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.09 118.31 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mm -114.23 95.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 89.0 m-85 -76.59 -44.14 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.98 62.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.2 m-20 -79.59 88.68 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 164.65 -52.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.67 -22.89 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG2' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -148.84 89.74 4.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.2 7.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.554 1.818 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -58.62 -59.68 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.485 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 3.4 mp -74.23 142.39 78.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -79.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -136.31 162.04 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -135.33 142.63 45.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -125.37 110.94 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.484 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.3 pt -107.86 151.25 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.34 118.44 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -120.44 158.82 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.0 m -124.29 158.87 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.425 ' CG2' HD23 ' A' ' 88' ' ' LEU . 68.8 p -76.33 67.31 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.07 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.365 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -47.91 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -128.64 -179.17 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.88 70.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.99 -49.24 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.72 -52.1 54.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.99 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.451 HG13 ' CB ' ' A' ' 54' ' ' PRO . 8.4 t -47.93 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.84 -58.88 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -45.59 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -54.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' CD2' ' A' ' 57' ' ' TYR . 40.1 mt -49.59 -67.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.56 -50.37 42.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 11.5 mmtt -53.57 -42.8 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 1.3 m-85 -72.66 -35.71 67.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.73 38.29 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -122.61 60.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.19 45.02 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -154.3 -46.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.45 173.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.22 117.65 61.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -15.23 57.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -86.45 -38.99 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CD2' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -90.94 146.48 23.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.8 p -127.85 -179.1 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.4 mm -111.4 99.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.63 120.74 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -89.6 130.83 35.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.24 122.08 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.519 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -109.65 119.19 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.407 HD13 ' CB ' ' A' ' 76' ' ' ALA . 1.4 mm? -74.73 154.59 87.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.83 23.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.811 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 62.58 5.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.62 -82.07 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.429 1.081 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.94 125.74 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' SER . 1.1 mt-30 176.44 148.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.34 -65.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -45.57 -55.06 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 174.19 160.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.64 102.75 14.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -137.16 75.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.6 -16.17 2.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.407 ' CB ' HD13 ' A' ' 64' ' ' LEU . . . -63.46 131.49 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -124.07 137.64 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 1.0 OUTLIER -104.57 157.91 16.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mt -134.96 113.8 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.4 mm -49.61 144.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.3 mt -92.79 152.39 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.74 -40.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -106.14 34.13 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.07 169.14 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 7.3 m -111.07 111.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -16.85 19.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' A' ' 32' ' ' THR . 13.3 tp -85.72 -66.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -50.0 -41.09 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 38.0 mt -54.62 -56.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.89 -46.26 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -43.86 -51.49 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -101.96 47.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.59 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.9 t-105 -100.23 131.53 23.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.59 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.02 123.0 7.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.2 p -62.76 -41.72 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.56 -42.03 67.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.448 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -54.07 -33.67 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.94 -172.69 19.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.53 154.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.01 139.95 53.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.613 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -147.62 140.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -115.21 102.7 10.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -95.2 144.88 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -102.88 119.77 39.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -159.35 -175.45 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.494 ' O ' ' CE ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.62 154.25 47.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 116.9 4.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.6 29.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -63.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.63 -158.03 33.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t 66.96 100.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 139.54 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.8 135.53 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -169.55 170.86 7.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.84 135.02 3.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.09 122.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 110.029 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -165.8 157.56 14.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.44 110.02 0.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 -56.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.74 -67.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.22 165.82 11.73 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -123.39 155.22 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.353 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -134.92 125.15 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.362 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.68 102.03 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.66 94.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.701 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 91.8 m-85 -68.72 -44.91 72.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 42.94 44.64 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.11 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' ALA . 23.0 t -172.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.39 -33.01 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -139.29 93.07 10.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -42.87 -61.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.479 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.2 mp -73.01 140.66 80.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 -55.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -159.78 166.67 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.3 mptt -134.69 146.04 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.3 p -126.13 110.85 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.464 HG22 ' CE ' ' A' ' 46' ' ' LYS . 5.9 pt -112.32 155.39 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -75.79 111.31 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -114.84 160.48 19.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 33' ' ' THR . 3.3 m -123.42 143.91 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' SER . 76.1 p -38.35 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.9 m -91.71 -96.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' OD1' ' CD2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER 45.9 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -145.1 149.48 35.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.23 78.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -39.12 90.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 37.3 t80 -71.13 -51.53 24.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.43 76.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG13 ' CB ' ' A' ' 54' ' ' PRO . 2.9 t -51.84 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.81 -56.98 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.7 mm-40 -42.81 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' GLU . 11.9 t -39.13 -57.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.506 HD21 ' CE2' ' A' ' 57' ' ' TYR . 23.9 mt -44.65 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -52.5 -52.03 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CE ' HG22 ' A' ' 28' ' ' ILE . 4.5 mmtt -50.17 -40.1 45.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.0 m-85 -77.54 -31.67 53.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.3 -3.93 7.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -82.33 58.87 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.58 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -155.05 -45.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.46 172.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.33 115.75 65.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -26.73 10.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -64.65 -12.43 45.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -91.71 -33.39 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CE2' HD21 ' A' ' 44' ' ' LEU . 8.5 m-85 -95.3 139.68 31.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.8 p -127.12 172.52 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' CD1' HG21 ' A' ' 40' ' ' VAL . 25.9 mm -97.83 112.43 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.13 120.96 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG3' ' CE ' ' A' ' 63' ' ' MET . 13.0 ptt180 -89.17 133.22 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.4 t -107.2 113.53 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.557 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 1.2 mtm -109.67 127.36 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -72.31 154.07 92.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.07 25.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.14 4.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.85 48.72 3.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.89 -53.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 53.88 83.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 45.11 52.38 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.19 -61.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 p30 179.62 128.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 3.0 mp0 -44.56 -30.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -50.14 120.0 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.59 13.8 62.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' GLU . . . -81.24 170.31 16.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.23 120.51 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -103.8 152.04 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.3 mt -130.35 120.85 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.452 HD11 ' CD ' ' A' ' 109' ' ' PRO . 3.5 mm -60.29 160.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mt -120.46 158.61 26.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -171.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -102.95 33.28 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -169.86 35.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.33 179.98 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.46 101.99 23.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.52 21.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 12' ' ' LEU . 11.2 tp -85.79 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.13 -47.37 81.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.3 mt -46.85 -49.79 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.71 -43.3 84.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -54.41 -30.37 52.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -109.2 34.34 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.602 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -91.48 135.63 27.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.01 -13.53 21.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER 69.43 -61.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -41.66 -47.85 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.417 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 22.0 mttt -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' SER . . . 144.31 151.56 5.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.27 149.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.4 133.54 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.701 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.4 t -147.95 144.02 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -116.17 108.41 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.3 150.28 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tp -109.13 117.1 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -167.52 157.43 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -43.43 160.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -80.78 123.37 82.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' CD ' HD11 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -74.99 129.43 12.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -50.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.11 -48.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.9 69.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -62.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.13 92.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.53 151.64 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -172.25 102.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.34 143.22 28.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.84 -149.91 21.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -150.65 165.25 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.42 -53.19 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.45 -74.96 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -70.53 155.9 40.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 -155.56 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.56 -135.04 3.56 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -127.83 167.44 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.79 125.6 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.08 105.98 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.406 ' O ' ' OH ' ' A' ' 47' ' ' TYR . 7.9 mm -103.86 83.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.631 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 91.6 m-85 -60.41 -47.84 84.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.52 58.37 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.1 65.36 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -165.53 -66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.01 -40.15 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.29 92.08 21.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.23 9.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -51.61 -59.21 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 4.7 mp -76.08 140.64 70.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -46.06 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -166.97 160.22 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -140.1 146.71 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.8 p -128.6 113.75 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.47 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 9.2 pt -106.13 159.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 29' ' ' LEU . 1.6 mm? -77.08 107.0 9.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -117.32 160.15 21.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 m -124.02 179.4 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -93.79 22.59 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -128.02 -43.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 p -117.37 176.7 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.78 -54.25 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.12 -44.12 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -65.04 -54.41 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.77 55.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG11 ' CB ' ' A' ' 54' ' ' PRO . 43.0 t -45.81 -70.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.29 -53.77 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.74 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -39.4 -50.22 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.407 HD23 ' CD2' ' A' ' 57' ' ' TYR . 36.2 mt -52.92 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 25.8 mt-10 -52.55 -52.76 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 17.4 mmtt -46.77 -48.9 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' OH ' ' O ' ' A' ' 14' ' ' ILE . 2.8 m-85 -67.2 -25.0 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 121.93 -7.9 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.27 65.21 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.236 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -91.67 41.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -152.31 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -45.83 169.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.51 121.17 54.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' CB ' HG11 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.93 -14.42 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -13.25 59.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 18.3 m-20 -90.13 -14.52 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -123.0 168.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.9 p -150.61 -171.45 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 4.9 mm -112.41 99.78 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 80' ' ' ILE . . . -95.29 119.29 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 61' ' ' ARG . 28.0 ptt180 -88.89 134.3 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.4 t -110.15 121.03 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 mtm -108.07 120.99 43.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.09 152.88 94.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.89 17.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.807 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.78 4.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.91 66.81 1.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.87 179.49 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.99 -53.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.61 -168.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m 61.99 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.88 86.91 4.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.03 46.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -76.54 112.05 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.24 -29.73 5.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.74 128.3 10.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -130.06 138.53 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.53 155.02 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.23 114.77 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.3 mm -51.77 149.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 4.7 mt -96.26 161.45 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.84 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 165.35 -35.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.38 24.8 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.98 177.57 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.47 118.24 21.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -37.76 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.39 -55.63 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.01 80.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.8 mt -59.57 -49.36 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 50.7 t80 -52.68 -53.79 42.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -47.96 74.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.9 51.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.527 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 73.7 t-105 -121.45 130.98 24.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.0 99.26 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -46.0 -25.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -42.14 96.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.462 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.4 mtpp -55.91 -24.77 39.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.43 -179.61 16.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.47 154.25 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.498 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 12.2 tp -121.84 137.76 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.631 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.1 t -146.55 141.04 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.498 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 42.5 m-85 -114.47 104.92 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -99.63 150.16 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.07 120.76 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.88 173.97 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -52.87 154.82 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -93.56 125.47 53.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.87 2.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 t -174.59 87.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.32 171.74 12.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.44 38.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 141.8 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 64.2 p -137.16 127.0 25.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -74.9 150.89 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -108.75 97.68 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.6 173.41 39.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -98.16 -58.06 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.989 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 58.12 160.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.47 63.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p -69.44 122.8 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 -167.75 33.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.16 -137.41 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 p -129.61 167.53 17.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.31 122.94 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -84.76 109.52 18.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mm -103.86 83.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.616 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 82.9 m-85 -53.99 -48.77 70.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.33 73.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -93.45 44.67 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 48.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.21 -41.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG3' ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.48 86.43 58.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -75.03 168.17 25.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.0 m-20 81.75 -56.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 2.8 mp -62.34 142.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.0 -80.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -144.33 152.48 40.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.85 145.96 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.7 p -131.3 111.45 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.463 HG21 ' CE ' ' A' ' 46' ' ' LYS . 4.8 pt -107.6 154.12 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 29' ' ' LEU . 1.7 mm? -74.32 118.03 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.2 tp -120.94 158.93 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.0 m -124.05 171.07 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -85.21 6.82 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.5 p -118.58 -35.89 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -48.96 176.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -127.07 -175.4 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.5 -53.0 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.06 -45.5 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.78 -57.97 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.0 -46.07 68.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 54' ' ' PRO . 2.6 t -50.24 -69.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -41.97 -48.59 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -57.16 -56.71 18.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 t -48.24 -52.17 22.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.4 mt -47.6 -68.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' GLY . 20.9 mt-10 -49.42 -59.68 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' CE ' HG21 ' A' ' 28' ' ' ILE . 3.9 mmtt -40.26 -50.39 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' HG3' ' A' ' 20' ' ' LYS . 2.3 m-85 -68.43 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 123.49 39.02 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -124.29 59.9 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.45 -46.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.39 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 8.2 t30 -114.08 122.44 34.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' CB ' HG12 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -75.03 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -11.98 47.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -89.52 -33.71 16.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 27.2 m-85 -101.62 134.62 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 178.94 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.417 ' CD1' HG22 ' A' ' 40' ' ' VAL . 29.9 mm -101.95 105.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -98.11 119.32 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ptt-85 -89.33 130.22 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.67 120.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.405 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -107.96 125.74 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -80.42 143.31 55.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.14 31.96 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.12 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.17 87.53 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.28 176.68 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -72.86 174.3 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -104.11 -70.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.97 -60.67 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.65 156.08 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.97 65.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -82.96 112.11 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.84 -36.76 4.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.58 124.92 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 124.02 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.34 156.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.4 114.19 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 mm -50.2 155.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.3 mt -106.59 152.99 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.81 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.99 -45.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -92.95 23.12 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.72 179.43 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -132.82 112.24 13.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.598 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -12.02 21.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 tp -91.89 -56.3 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -35.04 73.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 62.4 mt -64.12 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -54.26 -59.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -30.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.61 42.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.1 t-105 -115.61 130.85 24.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.568 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.04 112.68 3.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.0 p -58.11 -20.67 41.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -46.29 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.7 mtpt -50.56 -36.01 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.55 -166.93 25.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -78.47 154.79 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 15.7 tp -122.07 138.39 54.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.616 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.72 142.87 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 70.6 m-85 -119.76 107.94 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -98.76 168.32 10.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.3 tp -117.33 101.13 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -130.26 172.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.35 120.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -57.98 160.52 8.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 120.42 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 p -168.82 95.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.02 154.68 8.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -53.69 -67.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.33 105.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.23 159.71 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -57.6 164.3 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.19 137.04 4.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.65 115.73 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.61 24.28 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.96 -80.69 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 m -125.76 -79.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 -93.61 0.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.57 168.8 33.66 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -158.52 133.26 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.01 106.08 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.95 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.696 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 98.1 m-85 -57.05 -48.66 77.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.23 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.51 53.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.5 t -178.53 48.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -170.66 -41.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -136.96 92.88 13.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -42.18 -59.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 3.9 mp -79.94 140.27 54.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -129.64 157.1 43.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.1 tptt -132.43 142.37 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.7 p -124.57 111.03 15.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 5.4 pt -109.84 155.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.91 108.14 12.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.17 159.04 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -123.97 143.12 50.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.6 p -53.96 -22.42 10.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -86.56 -39.72 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -53.61 163.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.0 p -126.86 -169.08 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.81 -46.65 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.42 -44.61 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -71.88 -53.66 12.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.4 -44.33 65.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 54' ' ' PRO . 24.4 t -48.99 -68.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.2 -54.63 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.1 mm-40 -48.69 -68.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' GLU . 32.7 t -38.77 -53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.553 HD21 ' CE2' ' A' ' 57' ' ' TYR . 44.2 mt -48.99 -66.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.61 -53.61 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.482 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 22.8 mmtt -46.2 -53.01 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 2.3 m-85 -64.64 -26.38 68.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.87 32.21 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.5 65.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -94.94 44.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.02 -46.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -49.68 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.17 122.54 41.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' CB ' HG12 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -75.02 -25.78 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 4.8 mtmt -66.18 -11.31 48.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.19 -32.34 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.553 ' CE2' HD21 ' A' ' 44' ' ' LEU . 13.1 m-85 -103.22 142.71 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.25 174.69 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.438 ' CG1' HG23 ' A' ' 40' ' ' VAL . 10.7 mm -102.46 110.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -103.36 121.85 43.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 16.5 ptt180 -89.48 127.43 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HA ' ' CB ' ' A' ' 78' ' ' GLU . 38.4 t -100.05 115.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -111.51 126.93 55.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.92 114.08 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.37 33.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -29.88 7.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.12 55.53 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -138.6 -56.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -151.34 147.31 26.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -53.12 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.56 62.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.13 174.53 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.96 118.94 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -134.59 -58.76 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.67 33.43 6.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.92 170.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -132.08 138.73 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 0.5 OUTLIER -112.63 160.69 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.3 120.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 4.2 mm -54.44 153.84 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mt -102.67 167.31 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.96 -42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -97.28 24.33 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.11 -174.29 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.486 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 1.6 p -134.42 108.52 11.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.533 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -28.73 8.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 12' ' ' LEU . 16.5 tp -77.53 -60.92 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -51.53 -42.89 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 47.9 mt -58.21 -48.55 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -63.27 -43.51 97.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.53 -40.24 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.97 55.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.0 t-105 -116.16 131.46 23.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 119.09 5.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.7 p -60.86 -34.78 75.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -41.87 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 0.8 OUTLIER -54.59 -31.64 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.58 167.35 11.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -61.67 152.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.0 tp -122.28 135.88 54.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.696 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.4 t -145.82 139.33 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 52.2 m-85 -114.75 111.72 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -100.08 165.44 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.73 119.38 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 175.62 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -52.65 119.73 16.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 57.05 4.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.5 p -177.3 164.53 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.29 -81.55 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.95 8.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.557 1.819 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.4 p -137.21 151.49 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.39 131.43 8.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -156.61 97.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p -143.72 111.17 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 121.84 0.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.96 112.16 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -83.38 120.87 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.05 154.26 8.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -78.72 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.15 -113.16 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.01 174.09 46.21 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 p -124.21 166.99 14.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.79 126.51 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 94.98 9.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.0 86.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.667 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 85.3 m-85 -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' TYR . . . 39.47 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.42 67.74 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -171.06 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -136.4 92.25 15.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -143.47 -56.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 3.6 mp -71.55 142.46 86.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -57.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -161.3 160.62 29.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.474 ' CD ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -131.68 145.48 51.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -126.59 111.3 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.7 pt -108.92 153.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -75.35 110.38 9.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.48 160.66 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 p -123.83 141.29 52.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 p -45.26 -27.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -111.15 57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -114.7 169.42 9.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -121.26 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.53 89.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -35.34 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -73.27 -50.81 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG13 ' CB ' ' A' ' 54' ' ' PRO . 2.9 t -44.15 -66.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -56.35 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -47.57 -68.97 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.9 t -38.55 -56.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 57' ' ' TYR . 35.7 mt -45.02 -66.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.1 -52.63 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 6.2 mmtt -47.61 -50.05 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 3.9 m-85 -65.16 -30.2 71.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.3 6.04 9.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.97 54.25 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -82.81 50.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -45.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.45 170.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.594 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 1.3 t-20 -98.95 127.19 35.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' CB ' HG13 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 -2.42 12.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.19 3.36 55.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -108.99 -11.48 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 5.5 m-85 -126.96 142.37 51.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.64 -175.03 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.491 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 14.7 mm -109.79 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' HB3' ' CD1' ' A' ' 80' ' ' ILE . . . -98.06 120.95 39.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 26.2 ptt180 -89.45 134.62 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 t -108.34 114.04 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.41 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.3 mtm -110.56 132.52 54.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.43 153.08 87.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 67.38 5.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.15 -91.69 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 64.18 175.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -173.28 177.54 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 62.64 155.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.1 m -52.83 -54.66 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 135.02 56.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.89 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 54.21 102.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.89 -50.14 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.91 127.34 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 123.18 26.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.89 150.38 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -132.95 117.65 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 4.9 mm -47.99 154.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 4.4 mt -101.64 155.55 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.02 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.64 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -109.0 35.26 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -178.47 6.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 9.6 m -129.27 106.23 17.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -29.0 8.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.444 HD13 ' CZ ' ' A' ' 92' ' ' ARG . 22.0 tp -74.07 -53.5 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.411 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 57.4 mt -63.42 -48.11 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.83 -48.84 59.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.444 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -61.27 -49.23 77.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.04 47.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.2 t-105 -116.64 131.92 23.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.596 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.93 126.56 10.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.3 p -67.52 -33.29 74.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -31.94 72.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 4.1 mttt -64.33 -28.14 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.25 177.37 15.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.02 150.53 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.82 137.49 54.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -147.17 149.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 61.2 m-85 -119.02 118.18 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -108.89 163.59 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.98 120.61 29.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 177.72 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 139.94 58.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.447 ' NH1' ' C ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -54.15 108.16 1.06 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.66 30.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.19 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.39 -137.57 2.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 56.61 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -56.86 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 t -39.38 134.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA3' HD21 ' A' ' 88' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -129.38 151.3 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -139.19 127.22 22.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.72 103.93 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -95.88 89.69 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.688 ' CE2' HG13 ' A' ' 102' ' ' VAL . 92.4 m-85 -66.54 -46.44 76.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . 40.3 62.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.67 81.39 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.29 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 -34.3 74.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.6 mmtt -143.96 92.35 6.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -38.92 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -44.64 -56.88 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.3 mp -78.11 142.07 63.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 -82.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -130.48 155.52 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -126.67 144.54 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -131.69 120.35 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.735 HG22 ' CE ' ' A' ' 46' ' ' LYS . 3.0 pt -122.14 151.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.28 108.26 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.3 tp -109.11 160.14 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.766 ' C ' HD23 ' A' ' 88' ' ' LEU . 70.2 m -124.18 168.13 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -86.81 50.65 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 17.7 m-20 -41.81 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -106.53 -174.41 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.73 16.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -43.41 -54.84 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -51.43 -56.36 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.35 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 105' ' ' LEU . 3.1 t -44.31 -64.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -46.05 -58.13 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.6 -62.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.4 t -46.87 -48.19 21.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 57' ' ' TYR . 13.8 mt -52.96 -66.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.7 -49.32 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.735 ' CE ' HG22 ' A' ' 28' ' ' ILE . 4.1 mmmt -45.8 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -54.83 -24.41 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.71 33.24 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 52' ' ' GLU . 2.1 mm? -109.61 54.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.26 47.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.18 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.0 mm-40 -48.19 165.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.75 114.11 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.481 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.01 -15.83 20.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.78 -23.61 55.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.66 -42.22 29.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.5 m-85 -89.05 148.92 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.21 -171.6 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 81' ' ' LEU . 7.4 mm -112.17 99.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.666 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -90.31 119.11 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HG2' HD21 ' A' ' 81' ' ' LEU . 28.6 ptt180 -89.21 134.54 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 78' ' ' GLU . 10.6 t -108.33 119.41 57.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtm -112.09 130.69 55.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 122.02 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.716 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.2 pt-20 -97.26 153.0 18.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.91 117.0 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.666 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 6.7 mm -50.6 155.62 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD21 ' HG2' ' A' ' 61' ' ' ARG . 9.7 mt -103.86 159.08 15.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.22 -36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.25 28.12 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.84 -176.37 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.4 m -129.62 110.06 17.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.01 -14.13 21.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.766 HD23 ' C ' ' A' ' 31' ' ' SER . 21.1 tp -93.61 -55.98 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -56.73 -44.71 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.36 -53.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.98 -50.18 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.36 -42.23 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -115.29 52.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 67.6 t-105 -110.87 131.2 22.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -64.71 -32.06 73.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.17 -36.41 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.3 mtpt -64.89 -19.41 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.58 165.33 14.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.496 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -58.13 155.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 5.0 tp -122.25 132.7 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.688 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -137.02 141.04 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 12' ' ' LEU . 51.0 m-85 -115.99 102.82 9.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -97.35 153.17 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CD1' HG22 ' A' ' 40' ' ' VAL . 5.4 tp -107.18 113.05 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.13 160.67 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 154.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.616 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -140.23 126.16 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.582 ' C ' HD13 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -86.24 117.59 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 13' ' ' ARG . 3.1 mm -114.39 84.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.69 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.8 m-85 -58.03 -48.07 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.4 64.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -85.66 80.82 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.41 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.97 -37.35 87.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 6.7 mmtt -141.76 94.38 7.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.44 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -50.08 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.615 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.3 mp -75.69 141.27 72.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -88.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -122.11 160.79 24.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -136.12 144.33 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.554 HG22 ' HG3' ' A' ' 13' ' ' ARG . 30.7 p -131.32 111.48 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.555 HG21 ' HG3' ' A' ' 46' ' ' LYS . 6.1 pt -108.03 156.42 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.16 107.78 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.1 tp -110.58 160.07 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.696 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -124.13 175.44 7.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -92.86 33.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.22 -45.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -52.8 174.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.7 p -128.76 -167.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.729 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.77 -40.96 89.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -71.53 -52.85 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -55.82 -43.37 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 36' ' ' ALA . 9.0 t -48.78 -67.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.9 -53.02 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 50.0 mm-40 -52.49 -68.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 19.8 t -38.19 -59.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 54' ' ' PRO . 26.9 mt -40.61 -66.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.35 -52.97 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HG3' HG21 ' A' ' 28' ' ' ILE . 6.5 mmtt -45.43 -41.27 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.1 m-85 -79.22 -31.33 43.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.4 37.81 0.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.02 56.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -89.31 48.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' GLU . 1.3 mtpt -155.77 -45.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 51' ' ' LYS . 19.0 mm-40 -51.53 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.551 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -109.3 123.54 36.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.5 Cg_endo -74.96 -31.0 6.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.557 1.82 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -66.44 -11.99 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.21 -34.2 20.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 42.0 m-85 -98.91 153.81 18.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -137.58 165.88 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 108.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.426 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 18.5 mm -97.6 115.14 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.591 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -104.88 125.55 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HD3' HD21 ' A' ' 81' ' ' LEU . 19.7 ptt180 -89.29 121.07 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.745 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.6 t -98.65 121.64 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.536 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -107.79 121.18 44.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.3 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -128.75 137.68 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.745 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.1 pt-20 -113.9 147.8 37.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -123.16 127.46 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -56.99 147.43 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.611 HD21 ' HD3' ' A' ' 61' ' ' ARG . 6.9 mt -95.39 168.88 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 4.3 t0 -55.98 -67.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 1.7 t0 156.13 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -106.13 15.96 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.82 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 m -116.21 107.22 47.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.574 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -10.71 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.696 HD23 ' C ' ' A' ' 31' ' ' SER . 15.2 tp -94.73 -54.03 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.64 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.5 mt -56.61 -49.9 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.415 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 15.1 t80 -53.07 -60.61 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -31.69 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -103.93 44.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.572 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.3 t-105 -115.61 130.76 24.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.94 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.5 p -56.31 -26.91 53.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.63 -33.55 76.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.455 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 5.1 mtpp -69.13 -17.57 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.16 -166.8 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.5 mm -80.73 157.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 10.7 tp -121.89 142.06 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.7 t -145.99 146.61 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.616 ' CD2' HD11 ' A' ' 12' ' ' LEU . 54.3 m-85 -122.19 104.9 9.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -98.41 160.69 14.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 128.4 52.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.45 174.89 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 163.87 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.433 HG22 HD22 ' A' ' 29' ' ' LEU . 22.0 p -129.58 167.52 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.609 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -139.66 127.11 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.24 110.9 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.5 mm -108.36 94.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -64.37 -46.37 83.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 63.39 49.16 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.16 69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER 170.61 -72.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.13 -43.43 66.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -137.56 86.58 18.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.46 18.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -62.39 -72.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -55.01 142.22 57.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -172.08 158.86 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 16.1 mmtt -136.62 152.81 50.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -130.46 132.95 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.682 HG22 ' HE2' ' A' ' 46' ' ' LYS . 4.3 pt -129.85 158.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD22 HG22 ' A' ' 11' ' ' THR . 1.5 mm? -76.65 104.96 7.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -108.54 159.96 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -124.05 161.6 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.477 ' CG2' ' NH1' ' A' ' 92' ' ' ARG . 18.9 p -80.31 54.9 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ASP . 3.8 t -174.99 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' THR . 8.1 m-20 -39.92 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -100.95 164.06 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -66.11 -18.13 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.99 -43.16 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -65.38 -41.49 93.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -65.44 -46.64 79.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 36' ' ' ALA . 5.2 t -49.21 -56.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -53.16 -60.71 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' CB ' HD13 ' A' ' 28' ' ' ILE . 34.7 mm-40 -44.27 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.425 ' OG ' HD22 ' A' ' 105' ' ' LEU . 46.8 t -42.57 -55.35 3.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.762 HD21 ' HD2' ' A' ' 57' ' ' TYR . 13.9 mt -44.65 -64.36 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 19.7 mt-10 -46.49 -53.84 10.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.682 ' HE2' HG22 ' A' ' 28' ' ' ILE . 6.0 mmmt -41.84 -63.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 21.4 m-85 -57.73 -25.55 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 115.39 3.05 21.17 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD22 ' CB ' ' A' ' 47' ' ' TYR . 1.2 mm? -79.43 55.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.88 46.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -156.17 -46.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 7.6 mm-40 -44.33 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.01 113.8 59.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -74.99 -8.23 19.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.11 -22.43 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -80.95 -40.09 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.762 ' HD2' HD21 ' A' ' 44' ' ' LEU . 4.9 m-30 -88.32 158.59 18.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.81 -176.22 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.74 114.96 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -100.54 122.41 43.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' CD ' HD21 ' A' ' 81' ' ' LEU . 24.8 ptt180 -89.48 133.1 34.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.4 t -107.94 117.12 52.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.1 mtm -106.47 122.53 46.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.9 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.8 tttt -117.76 139.02 51.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.578 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -116.84 150.67 38.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.7 mt -127.76 127.69 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 60' ' ' ALA . 9.4 mm -56.72 156.32 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' A' ' 61' ' ' ARG . 63.1 mt -114.41 166.0 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.52 22.79 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 30.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -82.06 168.98 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.559 ' O ' HD12 ' A' ' 90' ' ' ILE . 6.5 m -117.34 100.02 52.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -19.58 17.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.53 HD11 ' NE ' ' A' ' 92' ' ' ARG . 7.5 tp -88.69 -62.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -49.96 -40.28 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 86' ' ' CYS . 45.1 mt -57.74 -60.47 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.425 ' HA ' HD22 ' A' ' 101' ' ' LEU . 39.7 t80 -43.19 -54.17 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NE ' HD11 ' A' ' 88' ' ' LEU . 2.2 mpt_? -54.72 -41.29 70.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -100.8 41.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 101' ' ' LEU . 70.9 t-105 -113.45 131.04 23.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.566 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 109.85 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.5 p -52.44 -31.28 33.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.83 -43.6 94.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.8 mtpp -55.7 -23.39 28.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.56 167.21 12.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -58.0 154.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.2 tp -121.91 139.95 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.2 t -147.8 151.22 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD2' HD11 ' A' ' 12' ' ' LEU . 74.1 m-85 -125.41 113.76 17.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -107.19 142.04 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 40' ' ' VAL . 5.6 tp -90.14 113.23 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 164.43 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 177.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 p -129.63 167.62 17.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -147.2 122.81 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.49 115.61 18.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -114.54 85.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.7 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.7 m-85 -60.15 -47.94 83.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 42.89 49.72 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -73.38 78.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.63 -54.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.67 -34.66 78.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.655 ' HE3' HD21 ' A' ' 49' ' ' LEU . 3.0 mmtt -141.59 91.82 8.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.92 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -54.92 -56.97 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.6 mp -80.85 141.08 50.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -46.08 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.61 156.68 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -141.88 144.22 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -125.67 118.79 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.608 HG21 ' HG3' ' A' ' 46' ' ' LYS . 7.6 pt -106.4 157.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 10' ' ' GLY . 1.7 mm? -75.24 107.33 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.67 159.78 17.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.812 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -124.01 176.33 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 p -96.45 37.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.74 -45.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.86 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.498 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 7.3 p -123.84 -172.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.51 -42.75 61.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.9 -48.41 51.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.67 -52.18 61.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.83 -40.85 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 36' ' ' ALA . 20.0 t -53.1 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.44 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.2 mm-40 -45.13 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.481 ' OG ' HD22 ' A' ' 105' ' ' LEU . 44.1 t -38.09 -56.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 57' ' ' TYR . 43.2 mt -46.47 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.12 -50.51 58.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 28' ' ' ILE . 11.5 mmtt -52.21 -41.85 63.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.55 -20.86 58.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.34 3.93 27.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.655 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.2 mm? -89.49 57.57 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -153.9 -46.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.47 171.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.89 116.63 66.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 -27.78 9.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.7 62.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.09 -40.74 14.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.3 m-85 -91.99 152.29 20.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -176.82 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mm -110.27 109.43 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -104.08 121.79 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.871 ' HG2' HD21 ' A' ' 81' ' ' LEU . 27.0 ptt180 -89.73 133.11 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.846 HG22 ' HB3' ' A' ' 78' ' ' GLU . 14.8 t -105.28 118.65 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.9 mtm -111.65 122.25 47.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HB1' HG12 ' A' ' 62' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.56 118.83 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.846 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -103.79 152.12 22.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -134.34 117.32 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 60' ' ' ALA . 5.1 mm -50.72 158.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD21 ' HG2' ' A' ' 61' ' ' ARG . 4.7 mt -115.34 -177.63 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.58 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -118.16 13.11 13.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 2.7 p-10 -146.6 22.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.535 ' OE1' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -74.77 177.52 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.589 ' O ' HD12 ' A' ' 90' ' ' ILE . 39.1 m -133.07 104.09 12.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.517 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.02 -13.97 21.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.812 HD23 ' C ' ' A' ' 31' ' ' SER . 9.7 tp -88.66 -62.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -52.9 -40.48 63.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 86' ' ' CYS . 44.6 mt -55.97 -63.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.413 ' HA ' HD22 ' A' ' 101' ' ' LEU . 35.2 t80 -41.69 -52.83 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.507 ' HD2' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -54.62 -42.68 71.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.88 45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.0 t-105 -115.98 130.83 24.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 120.38 6.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.7 p -64.96 -21.71 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.24 -34.29 75.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.1 mtpt -66.22 -29.33 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.21 -174.67 19.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -75.18 154.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.462 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 8.1 tp -120.64 138.77 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.7 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.5 t -147.4 140.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CD2' HD11 ' A' ' 12' ' ' LEU . 67.6 m-85 -114.9 113.94 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.31 163.96 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD22 ' OG ' ' A' ' 43' ' ' SER . 2.6 tp -123.31 109.63 14.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 -177.55 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 166.63 7.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -129.51 148.21 51.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.654 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -135.73 132.33 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' HG22 ' A' ' 27' ' ' THR . 0.9 OUTLIER -100.4 107.23 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mm -98.24 83.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.676 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.8 m-85 -59.77 -48.76 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 15' ' ' TYR . . . 66.83 -71.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' TYR . 8.0 t70 48.09 38.13 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -151.72 -55.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.58 -25.87 61.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.0 mmtt -146.52 96.47 4.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -44.19 -60.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.1 mp -75.32 142.07 74.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 -84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.21 156.76 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -124.1 146.87 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.717 HG22 ' HG2' ' A' ' 13' ' ' ARG . 71.4 p -129.35 113.5 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.725 HG22 ' HE3' ' A' ' 46' ' ' LYS . 4.1 pt -117.33 153.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.54 103.63 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -105.28 159.23 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' HD23 ' A' ' 88' ' ' LEU . 5.8 p -124.65 173.81 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.0 p -88.23 40.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -151.16 -44.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -38.86 157.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 1.4 p -112.89 148.72 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -47.26 -25.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.51 -43.35 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' THR . 7.2 t80 -69.69 -46.6 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.92 67.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 36' ' ' ALA . 2.5 t -41.21 -63.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -45.12 -58.79 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.45 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.58 ' OG ' HD22 ' A' ' 105' ' ' LEU . 46.4 t -43.1 -56.43 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.722 HD21 ' HD2' ' A' ' 57' ' ' TYR . 19.5 mt -42.74 -63.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.0 mt-10 -46.01 -54.13 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HE3' HG22 ' A' ' 28' ' ' ILE . 2.8 mmmt -42.22 -66.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 105.43 28.06 5.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.2 mm? -103.95 54.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.53 45.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -154.11 -46.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.76 165.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -90.6 112.67 54.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -15.8 20.59 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -76.65 -19.42 57.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -32.7 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.722 ' HD2' HD21 ' A' ' 44' ' ' LEU . 2.5 m-30 -94.41 149.17 21.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.41 -173.41 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 108.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.6 mm -113.03 103.08 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.761 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -97.42 119.9 36.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.626 ' CD ' HD21 ' A' ' 81' ' ' LEU . 19.2 ptt180 -89.08 135.84 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.1 t -105.97 116.62 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.499 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -101.04 115.27 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 125.82 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.802 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -112.08 154.38 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.67 124.69 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.761 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 10.0 mm -60.38 150.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.626 HD21 ' CD ' ' A' ' 61' ' ' ARG . 4.8 mt -105.4 -176.18 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -176.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.95 13.74 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -162.64 40.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -94.83 164.92 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.4 m -106.96 106.68 58.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.522 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.0 -20.55 16.75 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.629 ' HB2' HD23 ' A' ' 12' ' ' LEU . 16.5 tp -86.04 -54.13 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -34.67 66.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.444 HD11 ' CD ' ' A' ' 85' ' ' GLU . 71.4 mt -69.96 -48.66 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.74 -43.49 47.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.425 ' HD2' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.52 -46.18 87.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.87 42.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.583 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.4 t-105 -113.75 130.98 23.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.583 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 120.81 6.22 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.8 p -63.18 -32.35 73.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.39 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.6 mtpt -63.16 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 129.08 176.87 14.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.485 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.2 mm -65.87 154.62 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 6.9 tp -122.36 137.71 54.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.676 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.0 t -145.6 142.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.654 ' CD2' HD11 ' A' ' 12' ' ' LEU . 68.0 m-85 -115.3 111.03 20.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.99 168.61 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.58 HD22 ' OG ' ' A' ' 43' ' ' SER . 3.2 tp -125.59 106.36 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 168.46 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 169.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.547 HG22 HD22 ' A' ' 29' ' ' LEU . 24.9 p -129.64 167.35 18.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.345 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.623 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -140.26 125.16 18.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' C ' HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -85.16 117.02 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.463 HD13 ' C ' ' A' ' 13' ' ' ARG . 4.0 mm -111.56 80.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.597 ' CE2' HG13 ' A' ' 102' ' ' VAL . 84.1 m-85 -54.62 -48.82 71.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.94 87.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 18' ' ' SER . 27.7 t0 -100.64 64.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 162.19 53.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -173.82 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' A' ' 49' ' ' LEU . 7.6 mmtt -143.75 91.86 6.59 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.69 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.06 -56.32 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.591 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.0 mp -84.61 140.96 38.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 -76.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.23 137.11 53.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -121.92 117.29 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.699 HG22 ' CE ' ' A' ' 46' ' ' LYS . 5.5 pt -117.92 156.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 11' ' ' THR . 1.6 mm? -76.43 104.61 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.6 tp -106.84 158.91 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.534 HG22 ' CD2' ' A' ' 88' ' ' LEU . 20.9 p -91.62 47.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.48 -44.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -48.66 173.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 6.7 p -120.52 174.51 6.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -67.89 -30.7 70.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.74 -40.03 95.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -69.49 -49.51 54.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.52 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD12 ' A' ' 105' ' ' LEU . 2.7 t -42.71 -59.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.11 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.15 -64.57 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.22 -48.5 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 57' ' ' TYR . 21.3 mt -53.87 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.699 ' CE ' HG22 ' A' ' 28' ' ' ILE . 3.9 mmmt -44.9 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -55.53 -23.3 25.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.21 14.49 13.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.1 mm? -89.26 54.89 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.48 43.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -150.14 -46.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.55 172.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.15 117.36 65.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.97 -11.2 21.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -13.09 55.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.03 -40.99 12.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.756 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.7 m-85 -91.63 148.05 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -173.91 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.57 ' O ' HD12 ' A' ' 81' ' ' LEU . 15.1 mm -108.78 105.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -97.45 119.66 36.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.497 ' HD3' HD21 ' A' ' 81' ' ' LEU . 12.2 ptt180 -89.21 125.94 35.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.742 HG22 ' HB3' ' A' ' 78' ' ' GLU . 5.7 t -103.64 115.4 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.563 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -105.33 117.57 34.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -127.92 122.16 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.742 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -105.34 155.66 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mt -135.61 106.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -42.12 154.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 59' ' ' ILE . 1.4 mt -103.4 156.44 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.76 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 170.74 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 20.3 m-20 -103.62 30.4 5.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -87.77 175.73 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 115.01 29.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.483 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.534 ' CD2' HG22 ' A' ' 32' ' ' THR . 25.3 tp -83.01 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -50.34 -43.05 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 85' ' ' GLU . 47.4 mt -56.61 -42.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.25 -51.49 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -54.48 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.33 49.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.7 t-105 -102.8 130.04 24.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 p -66.14 -16.97 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -77.31 -22.17 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 1.1 mttt -76.08 -27.98 57.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.02 179.02 15.56 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.546 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.1 mm -66.57 154.31 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 10.5 tp -122.08 137.83 54.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.597 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -146.26 141.07 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD2' HD11 ' A' ' 12' ' ' LEU . 47.2 m-85 -116.24 105.6 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -101.01 141.62 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -100.0 121.53 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 -173.45 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 164.36 26.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.651 HG22 HD22 ' A' ' 29' ' ' LEU . 1.2 p -122.6 138.07 54.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -116.4 134.14 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG2' HG22 ' A' ' 27' ' ' THR . 2.6 mtt85 -95.53 107.52 19.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 mm -106.13 87.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.506 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 87.0 m-85 -63.17 -46.69 85.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 15' ' ' TYR . . . 72.06 -64.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t0 39.95 50.42 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -171.3 -58.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 57' ' ' TYR . 7.2 tp -74.65 -25.09 58.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.48 96.48 7.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 85.9 m-20 63.46 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -39.63 140.97 0.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -139.0 150.41 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -116.76 141.25 48.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 13' ' ' ARG . 80.6 p -125.3 110.58 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.496 HG21 ' HG3' ' A' ' 46' ' ' LYS . 3.6 pt -108.38 152.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD22 HG22 ' A' ' 11' ' ' THR . 1.3 mm? -73.95 115.48 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -119.97 158.82 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.965 ' C ' HD23 ' A' ' 88' ' ' LEU . 66.0 m -124.2 173.8 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -88.2 61.92 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.6 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -38.98 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 p -105.65 151.6 24.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.48 62.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -54.35 48.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.96 -48.6 72.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.487 HG23 HG12 ' A' ' 59' ' ' ILE . 2.5 t -47.86 -58.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.36 -53.77 26.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.4 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.451 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.4 p -40.2 -53.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 57' ' ' TYR . 39.4 mt -48.85 -67.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.55 -50.81 52.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HG3' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -52.17 -46.55 65.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -71.07 -25.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.02 29.38 3.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.3 mm? -112.89 59.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -87.68 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.17 -46.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.11 166.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 116.69 66.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 -30.16 7.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -65.35 -14.48 60.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -88.46 -39.97 13.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.59 ' HD2' HD21 ' A' ' 44' ' ' LEU . 3.8 m-30 -91.84 147.28 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.76 -171.78 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.487 HG12 HG23 ' A' ' 40' ' ' VAL . 17.0 mm -113.74 104.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.729 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -96.66 120.18 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 16.3 ptt180 -90.78 133.77 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 78' ' ' GLU . 11.8 t -107.44 118.36 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.94 120.26 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -113.5 141.36 47.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.802 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -123.2 150.99 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.33 124.87 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.729 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 10.5 mm -58.78 159.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD11 ' HE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -118.33 -176.78 3.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -177.72 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.28 20.6 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.32 36.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.49 -177.61 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.562 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.2 p -129.72 100.27 19.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 108.254 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.965 HD23 ' C ' ' A' ' 31' ' ' SER . 14.1 tp -72.14 -63.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.31 -46.3 65.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 86' ' ' CYS . 46.0 mt -53.06 -47.14 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.36 -46.89 72.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -46.39 -44.26 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -108.71 48.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 62.2 t-105 -104.78 131.86 21.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.599 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 132.41 15.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -39.96 72.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.44 -37.63 65.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 3.1 mttp -59.09 -30.56 68.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.16 167.55 12.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.486 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.7 OUTLIER -59.6 149.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.407 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 1.3 tp -122.71 140.17 53.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.0 t -147.85 148.91 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 12' ' ' LEU . 45.7 m-85 -118.44 109.82 16.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -99.32 141.36 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 43' ' ' SER . 8.2 tp -94.35 103.36 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.97 179.33 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 175.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.429 HG22 HD22 ' A' ' 29' ' ' LEU . 1.4 p -124.99 141.19 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -128.57 128.29 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.685 ' HG2' HG22 ' A' ' 27' ' ' THR . 5.5 mtt85 -96.34 111.25 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.403 HD13 ' C ' ' A' ' 13' ' ' ARG . 3.7 mm -100.54 84.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.664 ' CE2' HG13 ' A' ' 102' ' ' VAL . 89.2 m-85 -55.19 -48.4 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.08 65.65 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.32 70.2 10.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.79 -27.87 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.629 ' HE3' HD21 ' A' ' 49' ' ' LEU . 9.3 mttt -156.0 95.27 2.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.29 2.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -41.65 -62.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.697 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.9 mp -70.77 142.29 88.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -55.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.82 163.48 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.09 143.23 51.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 13' ' ' ARG . 71.3 p -129.25 111.42 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.881 HG22 ' HE2' ' A' ' 46' ' ' LYS . 3.2 pt -117.01 151.54 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD22 HG22 ' A' ' 11' ' ' THR . 1.4 mm? -79.06 106.03 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 39' ' ' ALA . 2.0 tp -101.57 161.93 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.86 155.45 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.446 HG22 ' CD2' ' A' ' 88' ' ' LEU . 79.5 p -79.09 53.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.54 -43.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.21 179.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 p -125.76 -170.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.776 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -73.65 -28.6 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.92 -43.91 94.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -67.14 -52.54 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -58.53 -41.12 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 36' ' ' ALA . 4.9 t -51.69 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -46.92 -52.24 14.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' CB ' HD13 ' A' ' 28' ' ' ILE . 2.6 mm-40 -47.87 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 16.6 t -43.8 -56.07 4.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 57' ' ' TYR . 32.5 mt -40.79 -61.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -47.84 -52.15 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.881 ' HE2' HG22 ' A' ' 28' ' ' ILE . 13.4 mmmt -45.68 -64.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.53 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 21.1 m-85 -55.54 -24.18 30.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.491 ' O ' HD13 ' A' ' 49' ' ' LEU . . . 107.4 45.29 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.629 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.9 mm? -125.41 61.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.5 44.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -45.47 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.79 118.3 63.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -16.62 20.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 1.9 mmtt -72.93 -5.97 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -98.1 -33.9 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.654 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.2 m-85 -94.87 135.87 35.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 80' ' ' ILE . 21.8 p -119.69 -177.13 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.776 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 11.8 mm -117.38 100.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.676 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -93.6 124.25 37.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HD3' HD21 ' A' ' 81' ' ' LEU . 10.9 ptt180 -89.21 131.47 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.9 t -105.39 115.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.3 mtm -107.89 116.33 31.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -132.37 118.33 19.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.759 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.65 150.87 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -129.86 123.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.4 mm -55.0 155.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 59' ' ' ILE . 12.7 mt -106.85 165.8 11.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.4 OUTLIER -66.54 -13.65 61.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 8.8 t0 88.35 -39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.28 8.78 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.501 ' CD ' HD11 ' A' ' 90' ' ' ILE . 1.3 mt-10 -82.44 172.52 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -106.33 112.84 63.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -17.35 19.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.446 ' CD2' HG22 ' A' ' 32' ' ' THR . 39.2 tp -86.35 -65.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -40.81 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 86' ' ' CYS . 48.8 mt -59.77 -49.47 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.77 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 58.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 68.8 t-105 -116.36 131.5 23.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.582 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.04 119.74 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -62.28 -31.03 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.53 -37.98 82.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 3.8 mtpt -59.34 -31.33 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.69 -177.96 17.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.532 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -68.74 152.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 9.3 tp -122.28 137.13 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.664 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.6 t -147.69 149.95 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 12' ' ' LEU . 51.0 m-85 -122.73 118.01 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.51 156.2 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.93 172.97 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 141.93 57.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 p -129.6 167.55 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.41 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -146.88 127.02 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -87.02 106.36 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -103.65 85.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.646 ' CE2' HG13 ' A' ' 102' ' ' VAL . 96.1 m-85 -56.93 -48.1 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.13 50.3 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.41 73.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -178.0 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.3 -36.98 33.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HD3' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -127.74 90.76 47.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -74.98 170.57 20.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.3 m-20 79.03 -57.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -58.73 142.35 83.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.9 -76.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -145.48 156.43 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.592 ' HE2' HG21 ' A' ' 23' ' ' ILE . 4.7 mptt -127.43 141.39 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -129.43 111.54 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 6.2 pt -105.91 156.05 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.08 104.19 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.538 HD11 ' CB ' ' A' ' 39' ' ' ALA . 1.4 tp -107.26 159.6 16.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.508 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -124.1 178.21 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.147 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.1 p -88.73 -12.06 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -97.65 -35.99 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -58.68 154.62 14.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 71.5 p -108.63 -163.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.41 -57.38 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.82 -53.84 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 30' ' ' LEU . . . -54.88 -41.58 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG13 HD11 ' A' ' 105' ' ' LEU . 15.4 t -58.47 -65.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.2 -43.01 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.21 -61.05 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' TYR . 17.3 t -43.57 -57.54 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 57' ' ' TYR . 22.6 mt -41.18 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.4 -55.0 28.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 4.6 mmtt -47.54 -33.66 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.0 m-85 -84.38 -32.8 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.35 -7.05 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -78.13 57.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.46 44.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -154.24 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.42 178.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.29 123.84 36.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.511 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.01 -27.5 9.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -62.83 -13.88 39.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 78.7 m-20 -91.22 -35.81 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.745 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.4 m-85 -96.01 139.02 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 80' ' ' ILE . 15.0 p -128.4 176.07 8.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.5 mm -103.24 103.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.792 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -97.0 119.8 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.664 ' NE ' HD21 ' A' ' 81' ' ' LEU . 16.1 ptt180 -89.05 121.46 31.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.1 t -106.29 114.45 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.53 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.89 121.02 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.882 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.3 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.882 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.72 138.57 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.655 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -107.48 159.41 16.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.52 104.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.792 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.9 mm -47.43 146.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.795 HD22 ' OE1' ' A' ' 85' ' ' GLU . 9.8 mt -107.89 167.2 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.09 20.35 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.82 23.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.795 ' OE1' HD22 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -84.47 160.14 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.408 ' O ' HD12 ' A' ' 90' ' ' ILE . 60.3 m -113.14 112.07 49.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.487 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -27.19 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 31' ' ' SER . 5.2 tp -76.86 -59.44 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -50.97 -42.74 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.693 HD11 ' OE2' ' A' ' 85' ' ' GLU . 45.7 mt -56.49 -57.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.27 -46.62 79.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -45.75 -43.88 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -108.51 49.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.5 t-105 -107.77 131.06 22.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.99 124.84 8.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.6 p -69.56 -29.08 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -26.86 67.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -68.3 -37.66 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.65 -170.37 24.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.533 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.3 mm -79.46 155.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.9 tp -122.18 140.54 52.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.646 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.5 t -146.54 138.98 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 12' ' ' LEU . 39.4 m-85 -115.68 102.6 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -96.96 150.67 20.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.518 HD11 HG13 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -113.48 117.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.91 155.44 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -45.0 145.44 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.549 HG22 HD22 ' A' ' 29' ' ' LEU . 26.2 p -129.54 167.53 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.649 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -139.17 127.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -85.52 113.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.09 85.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' CE2' HG11 ' A' ' 102' ' ' VAL . 25.7 m-85 -49.92 -49.06 51.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.63 74.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.48 -56.01 8.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.65 68.56 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 57' ' ' TYR . 1.9 tp 177.87 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HE3' HD21 ' A' ' 49' ' ' LEU . 15.8 mmtt -140.79 86.04 12.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.62 -45.41 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.8 mt -71.71 139.87 83.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.96 -54.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 8.7 p90 -167.81 164.23 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 33.5 mmtt -138.71 146.24 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -124.82 113.9 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 30' ' ' LEU . 5.2 pt -108.63 157.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD22 HG22 ' A' ' 11' ' ' THR . 1.6 mm? -78.19 104.75 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.528 HD13 HD11 ' A' ' 28' ' ' ILE . 1.6 tp -109.05 162.54 14.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.763 ' C ' HD23 ' A' ' 88' ' ' LEU . 1.2 t -123.56 -176.06 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -101.79 2.22 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -113.76 -23.0 9.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.482 ' CG ' ' CD2' ' A' ' 38' ' ' PHE . 19.6 m-20 -62.35 177.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -130.9 169.14 16.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.19 -38.84 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.48 -52.64 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD2' ' CG ' ' A' ' 34' ' ' ASP . 85.4 t80 -58.75 -49.62 76.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 30' ' ' LEU . . . -56.77 -45.09 82.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' ALA . 9.2 t -51.41 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.53 -53.77 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.6 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -43.51 -58.17 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD21 ' CD2' ' A' ' 57' ' ' TYR . 38.3 mt -43.83 -68.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.5 mt-10 -49.71 -56.54 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 7.3 mmmt -45.58 -48.44 14.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 1.4 m-85 -68.89 -26.75 65.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.49 26.93 3.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.7 mm? -112.48 62.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.47 44.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -153.07 -46.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -47.96 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -101.53 116.63 63.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.06 -9.52 20.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -81.01 -11.28 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.46 -37.75 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.791 ' CD2' HD21 ' A' ' 44' ' ' LEU . 10.9 m-85 -91.27 145.16 24.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.623 ' SG ' HD12 ' A' ' 80' ' ' ILE . 13.9 p -132.57 171.95 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.364 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.7 mm -100.26 112.92 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.752 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -107.16 121.95 45.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.507 ' CD ' HD21 ' A' ' 81' ' ' LEU . 29.3 ptt180 -89.29 127.66 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.672 HG13 ' HB3' ' A' ' 78' ' ' GLU . 1.7 t -108.58 120.32 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.44 122.28 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.551 HD23 HG22 ' A' ' 100' ' ' ILE . 1.2 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.18 138.13 50.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.672 ' HB3' HG13 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -118.83 155.41 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.5 mt -129.53 115.57 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.752 HD13 ' HB2' ' A' ' 60' ' ' ALA . 5.6 mm -51.59 148.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.507 HD21 ' CD ' ' A' ' 61' ' ' ARG . 21.6 mt -106.96 167.24 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -168.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.21 30.19 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.93 29.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.823 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -93.77 166.42 12.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.512 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.5 p -123.09 109.49 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.546 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -16.72 20.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.763 HD23 ' C ' ' A' ' 31' ' ' SER . 5.3 tp -83.46 -58.77 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.01 -41.53 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.823 HD11 ' OE1' ' A' ' 85' ' ' GLU . 42.8 mt -55.72 -47.99 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -67.03 -47.33 71.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -46.13 -34.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.49 54.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 64.0 t-105 -117.0 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.1 p -67.06 -39.47 86.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -34.32 62.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.5 mtpt -63.65 -27.07 68.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.68 174.18 13.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.551 HG22 HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -65.9 153.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.8 tp -122.0 141.67 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -147.39 157.24 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 12' ' ' LEU . 67.6 m-85 -131.49 107.59 8.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -97.24 145.91 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.12 130.38 55.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.24 173.51 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.34 146.82 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -143.79 121.38 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' HG22 ' A' ' 27' ' ' THR . 5.4 mtt-85 -84.09 115.08 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 13' ' ' ARG . 4.0 mm -110.54 82.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 91.6 m-85 -53.82 -48.96 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.35 53.99 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.04 74.6 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -177.04 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.85 -37.71 77.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -129.38 86.12 57.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 49.02 2.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.66 -51.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.569 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.1 mp -80.98 140.76 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.569 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -167.96 158.13 10.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -141.16 145.68 36.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.435 HG22 ' CG ' ' A' ' 13' ' ' ARG . 58.5 p -126.61 137.51 53.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.792 HG22 ' HE2' ' A' ' 46' ' ' LYS . 3.6 pt -129.12 156.68 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.45 107.08 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -113.84 158.61 20.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.591 ' C ' HD23 ' A' ' 88' ' ' LEU . 54.8 p -124.17 -178.32 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -93.11 18.63 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.9 OUTLIER -128.19 -43.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' THR . 29.8 m-20 -45.2 168.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -118.93 -177.48 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -73.82 -37.82 64.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.36 -48.61 76.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.82 -51.27 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.62 -50.73 72.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 59' ' ' ILE . 2.7 t -40.28 -60.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.33 -59.07 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.49 -61.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.451 ' OG ' HD22 ' A' ' 105' ' ' LEU . 30.5 t -45.08 -49.26 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 HD11 ' HD2' ' A' ' 57' ' ' TYR . 41.0 mt -52.99 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -44.35 -50.25 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.792 ' HE2' HG22 ' A' ' 28' ' ' ILE . 8.8 mmmt -44.0 -66.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.2 m-85 -54.24 -25.11 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.36 28.39 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.557 HD12 ' HG3' ' A' ' 52' ' ' GLU . 2.1 mm? -104.93 56.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.78 47.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -155.92 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.5 mm-40 -47.74 170.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.49 116.23 66.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -28.07 9.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -22.48 66.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.51 -41.99 30.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.463 ' HD2' HD11 ' A' ' 44' ' ' LEU . 5.6 m-85 -89.75 151.75 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 178.59 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.55 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 33.2 mm -99.69 106.34 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.719 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.26 120.73 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.461 ' CD ' HD21 ' A' ' 81' ' ' LEU . 16.9 ptt180 -90.14 131.17 36.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.771 HG22 ' HB3' ' A' ' 78' ' ' GLU . 16.6 t -103.83 118.24 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.6 mtm -112.85 127.05 56.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.8 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.1 ttpt -123.39 138.52 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.771 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -114.46 156.95 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mt -135.11 123.2 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.719 HD13 ' HB2' ' A' ' 60' ' ' ALA . 8.4 mm -56.24 153.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 59' ' ' ILE . 6.5 mt -102.17 161.48 13.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -48.9 -72.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER 159.86 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.46 23.5 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -85.91 176.64 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.555 ' O ' HD12 ' A' ' 90' ' ' ILE . 63.7 m -125.34 118.71 24.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -30.08 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.591 HD23 ' C ' ' A' ' 31' ' ' SER . 19.3 tp -70.43 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.96 -43.27 60.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 86' ' ' CYS . 50.3 mt -58.38 -42.45 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -70.01 -40.79 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.89 -43.08 76.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.5 53.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.3 t-105 -114.33 131.58 23.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.03 126.28 9.85 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -66.22 -40.92 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -38.15 57.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 4.4 mtpt -58.95 -35.17 72.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.9 173.87 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.523 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -64.18 152.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 5.5 tp -122.24 136.48 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.609 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.1 t -147.62 142.6 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CD2' HD11 ' A' ' 12' ' ' LEU . 68.5 m-85 -113.97 110.39 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -97.56 165.28 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.451 HD22 ' OG ' ' A' ' 43' ' ' SER . 15.4 tp -113.41 104.19 12.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.62 169.54 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 170.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 143.16 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.771 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -120.06 128.87 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.57 104.27 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.9 mm -95.88 80.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.671 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 83.8 m-85 -52.72 -49.43 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.669 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . . . 52.42 100.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.3 -48.51 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -85.6 53.71 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 106' ' ' LYS . 2.1 tp -174.2 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.862 ' HD2' HD13 ' A' ' 23' ' ' ILE . 26.4 mmtt -129.59 87.87 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -55.27 -69.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.862 HD13 ' HD2' ' A' ' 20' ' ' LYS . 4.6 mp -58.13 140.97 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -62.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -156.03 162.5 40.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD3' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -127.35 147.62 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 p -127.53 116.19 19.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.745 HG22 ' HG2' ' A' ' 46' ' ' LYS . 6.7 pt -118.37 156.78 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -79.24 112.35 16.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -115.78 159.75 21.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.899 ' C ' HD23 ' A' ' 88' ' ' LEU . 15.5 p -124.02 178.41 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -91.45 29.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.22 -45.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -42.41 163.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.7 179.12 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.56 98.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.97 -48.54 67.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.43 -51.07 71.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.24 -50.87 72.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' ' 54' ' ' PRO . 24.2 t -47.23 -58.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.09 -54.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -43.02 -57.57 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CA ' ' HB2' ' A' ' 49' ' ' LEU . 18.4 mt -40.11 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 mt-10 -43.53 -56.67 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.745 ' HG2' HG22 ' A' ' 28' ' ' ILE . 9.9 mptt -42.89 -67.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.669 ' OH ' ' HB3' ' A' ' 16' ' ' ALA . 6.2 m-85 -51.47 -22.92 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 110.94 19.29 7.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.527 HD21 ' HE3' ' A' ' 20' ' ' LYS . 1.9 mm? -93.97 56.14 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.46 45.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.64 -46.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.54 170.74 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 9.4 t30 -102.77 136.02 19.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HB3' HG12 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 -0.57 10.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -10.25 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -9.11 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 8.2 m-85 -128.51 156.63 42.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -139.54 173.74 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' HD12 ' A' ' 81' ' ' LEU . 13.5 mm -102.45 111.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -100.16 119.43 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.668 ' HD3' HD21 ' A' ' 81' ' ' LEU . 21.8 ptt180 -89.12 132.81 34.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.833 HG22 ' HB3' ' A' ' 78' ' ' GLU . 13.7 t -107.35 115.08 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.7 mtm -109.28 138.61 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -132.43 118.12 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.833 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.4 pt-20 -105.25 150.04 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 mt -133.03 118.85 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.662 HD13 ' HB2' ' A' ' 60' ' ' ALA . 7.0 mm -52.24 152.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.668 HD21 ' HD3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -99.48 161.59 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.1 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.99 27.53 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.532 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -84.08 175.33 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 88.1 m -125.6 109.5 25.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.497 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -21.5 15.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.899 HD23 ' C ' ' A' ' 31' ' ' SER . 28.3 tp -84.6 -51.29 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.86 -40.64 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.532 HD11 ' OE1' ' A' ' 85' ' ' GLU . 52.0 mt -61.08 -47.56 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.41 ' HA ' HD22 ' A' ' 101' ' ' LEU . 29.6 t80 -52.4 -49.84 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.79 92.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.89 42.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -112.91 131.61 22.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.042 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 -36.73 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.02 -38.05 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 5.4 mtpt -60.22 -35.06 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.14 175.18 13.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.7 OUTLIER -64.8 154.51 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.4 tp -122.04 136.65 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.74 141.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.771 ' CD2' HD11 ' A' ' 12' ' ' LEU . 77.2 m-85 -113.4 118.42 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.03 132.6 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.2 ptmt -138.13 171.63 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 161.89 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -129.37 167.51 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -144.26 124.7 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.89 112.81 18.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.27 88.59 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.695 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 87.9 m-85 -66.38 -46.8 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 44.14 59.14 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.2 t70 -82.03 82.12 7.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER 167.04 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.34 -18.23 65.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HE3' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -162.02 91.92 1.37 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.23 5.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -52.48 -46.43 66.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -86.26 140.78 34.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 -73.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -141.72 156.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 19.8 mmtt -128.0 143.07 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.7 p -129.62 111.35 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.559 HG21 ' HG3' ' A' ' 46' ' ' LYS . 12.8 pt -112.11 160.65 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.66 115.67 21.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.74 159.09 20.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -124.15 153.39 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.435 HG21 ' NH2' ' A' ' 92' ' ' ARG . 4.3 p -75.16 56.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.63 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -54.94 155.66 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.7 p -107.57 -178.91 3.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.52 -48.13 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' ALA . 54.3 t0 -40.13 -52.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -59.79 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.59 56.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 36' ' ' ALA . 52.3 t -50.32 -69.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.11 -48.73 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.3 mm-40 -54.4 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.2 p -37.84 -59.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.616 HD22 ' HG2' ' A' ' 52' ' ' GLU . 17.7 mt -40.43 -68.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.8 mt-10 -52.69 -54.18 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HG3' HG21 ' A' ' 28' ' ' ILE . 32.1 mmtt -46.17 -42.39 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 3.8 m-85 -77.14 -25.2 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.51 22.6 5.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.54 HD21 ' HE3' ' A' ' 20' ' ' LYS . 3.1 mm? -103.16 67.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -99.49 56.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -157.62 -51.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.616 ' HG2' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -55.35 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.89 127.35 27.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -20.16 17.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -4.31 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -95.11 -34.47 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 t -138.32 160.71 38.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.8 mm -94.56 110.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.692 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -102.49 119.85 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 39.6 ptt180 -89.24 135.94 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.803 HG22 ' HB3' ' A' ' 78' ' ' GLU . 8.6 t -107.89 120.29 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 mtm -110.07 129.04 55.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 2.7 tttt -122.13 140.72 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.803 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.2 pt-20 -120.68 149.24 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.8 mt -131.3 125.65 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -54.63 159.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 179.45 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -76.76 -11.14 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.8 t70 80.22 -1.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -125.14 8.24 7.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.51 -177.55 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 p -119.37 110.17 37.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.04 -11.15 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tp -94.59 -50.26 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -40.95 98.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.52 -50.36 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -46.75 -63.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.435 ' NH2' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -48.57 -36.76 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.22 48.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.7 t-105 -119.06 129.74 25.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.97 100.8 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.558 1.82 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -45.2 -26.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -45.13 94.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 17.3 mtpt -58.11 -20.13 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.9 -170.62 14.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.452 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.4 mm -77.19 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.5 tp -121.42 140.13 52.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.695 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 147.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 12' ' ' LEU . 63.0 m-85 -121.17 117.52 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -107.05 168.12 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.56 132.25 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -176.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 165.34 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -129.62 167.36 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -141.76 125.59 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.559 HH11 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -79.15 114.2 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.453 ' C ' ' NH2' ' A' ' 13' ' ' ARG . 9.1 mm -115.47 91.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 92.6 m-85 -70.3 -46.68 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' TYR . . . 39.14 44.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.76 77.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -179.48 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 tp -87.78 -34.76 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.754 ' HE3' HD21 ' A' ' 49' ' ' LEU . 5.2 mmtp -139.47 88.75 12.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -41.06 -64.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.611 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -68.51 141.13 92.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.99 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.3 p90 -150.85 153.83 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' NZ ' HG21 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -146.78 135.96 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.559 HG22 HH11 ' A' ' 13' ' ' ARG . 39.6 p -101.52 125.09 48.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.534 ' CD1' HD13 ' A' ' 30' ' ' LEU . 4.8 pt -106.09 154.53 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.54 107.03 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.4 tp -111.11 161.37 15.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.643 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -123.88 170.87 10.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -91.18 32.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.76 -45.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' CE2' ' A' ' 38' ' ' PHE . 14.2 m-20 -48.3 172.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.4 p -129.24 -170.27 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -67.71 -47.02 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -28.71 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE2' ' OD2' ' A' ' 34' ' ' ASP . 65.7 t80 -84.46 -56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -33.42 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.2 t -58.33 -60.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.64 -56.58 17.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 mm-40 -42.01 -70.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 45.7 t -38.3 -60.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.536 HD11 ' HD2' ' A' ' 57' ' ' TYR . 39.3 mt -42.0 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.13 -52.08 38.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' HG21 ' A' ' 28' ' ' ILE . 5.7 mmtt -48.05 -53.47 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.03 -25.81 68.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 20.79 5.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.1 mm? -104.29 66.73 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.66 46.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.99 -46.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -47.31 171.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.92 115.71 65.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.07 -24.11 13.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -12.35 60.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -91.07 -39.28 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HD2' HD11 ' A' ' 44' ' ' LEU . 4.4 m-85 -90.16 152.35 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 -176.45 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.8 mm -115.77 106.6 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.704 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.08 123.4 42.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' HE2' ' A' ' 63' ' ' MET . 10.3 ptt180 -89.29 129.87 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.749 HG22 ' HB3' ' A' ' 78' ' ' GLU . 10.6 t -104.49 120.23 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.431 ' HE2' ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -107.9 126.12 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.02 127.71 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.749 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -108.36 153.11 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 mt -131.97 122.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.704 HD13 ' HB2' ' A' ' 60' ' ' ALA . 7.6 mm -52.42 152.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 59' ' ' ILE . 10.7 mt -99.25 159.1 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.36 -44.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.83 27.19 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.669 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -84.09 167.13 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.479 ' O ' HD12 ' A' ' 90' ' ' ILE . 84.7 m -114.36 113.97 45.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.495 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.643 HD23 ' C ' ' A' ' 31' ' ' SER . 15.3 tp -85.63 -62.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.34 -41.96 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.669 HD11 ' CD ' ' A' ' 85' ' ' GLU . 37.9 mt -55.03 -55.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.9 -48.16 83.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -43.56 -45.51 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.56 42.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.567 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.1 t-105 -102.86 131.01 22.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.567 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 117.95 5.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.426 1.751 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -61.92 -26.62 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 6.6 mtpt -64.2 -30.43 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . 124.62 147.74 7.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 100' ' ' ILE . 0.4 OUTLIER -39.68 154.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 5.7 tp -121.98 144.01 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 143.26 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 12' ' ' LEU . 57.5 m-85 -119.13 113.68 21.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -101.74 166.75 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.23 123.41 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.35 5.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 154.43 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -110.69 136.24 50.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -117.03 126.24 52.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.09 118.31 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mm -114.23 95.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.738 ' CE2' HG13 ' A' ' 102' ' ' VAL . 89.0 m-85 -76.59 -44.14 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.98 62.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.2 m-20 -79.59 88.68 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 164.65 -52.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 19' ' ' LEU . 8.3 tp -71.67 -22.89 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.476 ' CD ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -148.84 89.74 4.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.2 7.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.554 1.818 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -58.62 -59.68 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.68 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.4 mp -74.23 142.39 78.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -79.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -136.31 162.04 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -135.33 142.63 45.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -125.37 110.94 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.483 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.3 pt -107.86 151.25 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.34 118.44 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -120.44 158.82 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.539 ' C ' HD23 ' A' ' 88' ' ' LEU . 25.0 m -124.29 158.87 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.429 ' N ' HD23 ' A' ' 88' ' ' LEU . 68.8 p -76.33 67.31 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.07 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.365 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -47.91 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -128.64 -179.17 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -71.6 -39.88 70.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.99 -49.24 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.72 -52.1 54.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.99 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' ALA . 8.4 t -47.93 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.84 -58.88 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -45.59 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -54.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 57' ' ' TYR . 40.1 mt -49.59 -67.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.56 -50.37 42.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 11.5 mmtt -53.57 -42.8 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 1.3 m-85 -72.66 -35.71 67.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' HD13 ' A' ' 49' ' ' LEU . . . 120.73 38.29 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD21 ' CD ' ' A' ' 20' ' ' LYS . 2.3 mm? -122.61 60.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.19 45.02 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -154.3 -46.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.45 173.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.22 117.65 61.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -15.23 57.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -86.45 -38.99 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CD2' HD21 ' A' ' 44' ' ' LEU . 5.9 m-85 -90.94 146.48 23.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.793 ' SG ' HD12 ' A' ' 80' ' ' ILE . 13.8 p -127.85 -179.1 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.4 mm -111.4 99.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.925 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -93.63 120.74 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CD ' HD21 ' A' ' 81' ' ' LEU . 12.6 ptt180 -89.6 130.83 35.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.773 HG22 ' HB3' ' A' ' 78' ' ' GLU . 12.8 t -108.24 122.08 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.52 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -109.65 119.19 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.852 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -124.07 137.64 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.773 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -104.57 157.91 16.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mt -134.96 113.8 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.925 HD13 ' HB2' ' A' ' 60' ' ' ALA . 25.4 mm -49.61 144.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 59' ' ' ILE . 11.3 mt -92.79 152.39 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.74 -40.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -106.14 34.13 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.527 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -87.07 169.14 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.549 ' O ' HD12 ' A' ' 90' ' ' ILE . 7.3 m -111.07 111.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -16.85 19.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 31' ' ' SER . 13.3 tp -85.72 -66.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -50.0 -41.09 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 86' ' ' CYS . 38.0 mt -54.62 -56.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.89 -46.26 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -43.86 -51.49 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -101.96 47.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.59 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.9 t-105 -100.23 131.53 23.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.59 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.02 123.0 7.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.2 p -62.76 -41.72 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.56 -42.03 67.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -54.07 -33.67 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.94 -172.69 19.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.515 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.0 OUTLIER -76.53 154.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.01 139.95 53.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.738 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.0 t -147.62 140.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 12' ' ' LEU . 47.9 m-85 -115.21 102.7 10.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -95.2 144.88 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -102.88 119.77 39.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -159.35 -175.45 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.494 ' O ' ' CE ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -123.39 155.22 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.353 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.603 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.92 125.15 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.362 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.68 102.03 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.66 94.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.763 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.8 m-85 -68.72 -44.91 72.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 42.94 44.64 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.11 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' ALA . 23.0 t -172.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.39 -33.01 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -139.29 93.07 10.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -42.87 -61.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.563 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.2 mp -73.01 140.66 80.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 -55.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -159.78 166.67 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.3 mptt -134.69 146.04 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.3 p -126.13 110.85 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 46' ' ' LYS . 5.9 pt -112.32 155.39 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.79 111.31 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 30' ' ' LEU . 1.3 tp -114.84 160.48 19.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.849 ' C ' HD23 ' A' ' 88' ' ' LEU . 3.3 m -123.42 143.91 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.7 ' N ' HD23 ' A' ' 88' ' ' LEU . 76.1 p -38.35 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.9 m -91.71 -96.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' OD1' ' CD2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER 45.9 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -145.1 149.48 35.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.12 -39.23 78.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -39.12 90.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 37.3 t80 -71.13 -51.53 24.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.43 76.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 36' ' ' ALA . 2.9 t -51.84 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -42.81 -56.98 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.7 mm-40 -42.81 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.486 ' OG ' HD22 ' A' ' 105' ' ' LEU . 11.9 t -39.13 -57.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' HD2' ' A' ' 57' ' ' TYR . 23.9 mt -44.65 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -52.5 -52.03 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -50.17 -40.1 45.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.0 m-85 -77.54 -31.67 53.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.3 -3.93 7.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.5 mm? -82.33 58.87 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.58 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -155.05 -45.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.46 172.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.33 115.75 65.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -26.73 10.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -64.65 -12.43 45.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -91.71 -33.39 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HD2' HD11 ' A' ' 44' ' ' LEU . 8.5 m-85 -95.3 139.68 31.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 80' ' ' ILE . 23.8 p -127.12 172.52 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.83 112.43 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 1.009 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -108.13 120.96 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HG3' ' CE ' ' A' ' 63' ' ' MET . 13.0 ptt180 -89.17 133.22 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 78' ' ' GLU . 31.4 t -107.2 113.53 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.558 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 1.2 mtm -109.67 127.36 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 100' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.23 120.51 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.726 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -103.8 152.04 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.3 mt -130.35 120.85 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.009 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.5 mm -60.29 160.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.515 HD11 ' HE1' ' A' ' 103' ' ' PHE . 3.3 mt -120.46 158.61 26.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -171.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -102.95 33.28 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -169.86 35.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.804 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.5 OUTLIER -90.33 179.98 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.596 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.9 p -127.46 101.99 23.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.52 21.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.849 HD23 ' C ' ' A' ' 31' ' ' SER . 11.2 tp -85.79 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.13 -47.37 81.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.804 HD11 ' OE1' ' A' ' 85' ' ' GLU . 27.3 mt -46.85 -49.79 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.71 -43.3 84.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -54.41 -30.37 52.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -109.2 34.34 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.602 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -91.48 135.63 27.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.01 -13.53 21.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER 69.43 -61.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -41.66 -47.85 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 22.0 mttt -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' SER . . . 144.31 151.56 5.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.488 HG22 HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -41.27 149.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.4 133.54 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.763 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.4 t -147.95 144.02 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.603 ' CD2' HD11 ' A' ' 12' ' ' LEU . 59.3 m-85 -116.17 108.41 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.3 150.28 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.486 HD22 ' OG ' ' A' ' 43' ' ' SER . 1.1 tp -109.13 117.1 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -167.52 157.43 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.441 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -43.43 160.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -127.83 167.44 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -137.79 125.6 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HA ' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -85.08 105.98 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -103.86 83.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.746 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.6 m-85 -60.41 -47.84 84.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.52 58.37 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.1 65.36 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -165.53 -66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.01 -40.15 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.29 92.08 21.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.23 9.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -51.61 -59.21 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.582 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.7 mp -76.08 140.64 70.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.582 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -46.06 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -166.97 160.22 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -140.1 146.71 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 13' ' ' ARG . 76.8 p -128.6 113.75 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 46' ' ' LYS . 9.2 pt -106.13 159.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.08 107.0 9.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD23 ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -117.32 160.15 21.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 m -124.02 179.4 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -93.79 22.59 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -128.02 -43.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 p -117.37 176.7 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.78 -54.25 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.12 -44.12 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -65.04 -54.41 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.77 55.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 54' ' ' PRO . 43.0 t -45.81 -70.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.29 -53.77 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.74 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -39.4 -50.22 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 57' ' ' TYR . 36.2 mt -52.92 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 25.8 mt-10 -52.55 -52.76 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 28' ' ' ILE . 17.4 mmtt -46.77 -48.9 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.2 -25.0 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 121.93 -7.9 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD12 ' HG2' ' A' ' 52' ' ' GLU . 2.7 mm? -77.27 65.21 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -91.67 41.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -152.31 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG2' HD12 ' A' ' 49' ' ' LEU . 15.8 mm-40 -45.83 169.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.51 121.17 54.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.93 -14.42 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -13.25 59.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 18.3 m-20 -90.13 -14.52 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.623 ' HD2' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -123.0 168.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 80' ' ' ILE . 19.9 p -150.61 -171.45 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.9 mm -112.41 99.78 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.921 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -95.29 119.29 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' CG ' HD21 ' A' ' 81' ' ' LEU . 28.0 ptt180 -88.89 134.3 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 78' ' ' GLU . 17.4 t -110.15 121.03 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 mtm -108.07 120.99 43.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -130.06 138.53 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.805 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.53 155.02 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.23 114.77 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.921 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.3 mm -51.77 149.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 59' ' ' ILE . 4.7 mt -96.26 161.45 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.84 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 165.35 -35.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.38 24.8 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -81.98 177.57 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.47 118.24 21.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.474 ' HG2' HD23 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.93 -37.76 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.39 -55.63 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.01 80.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.442 HD11 ' CD ' ' A' ' 85' ' ' GLU . 48.8 mt -59.57 -49.36 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.46 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 50.7 t80 -52.68 -53.79 42.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -47.96 74.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.9 51.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 73.7 t-105 -121.45 130.98 24.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.0 99.26 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -46.0 -25.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -42.14 96.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.463 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.4 mtpp -55.91 -24.77 39.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.43 -179.61 16.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.506 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.1 mm -68.47 154.25 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 12.2 tp -121.84 137.76 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.746 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.1 t -146.55 141.04 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' HD2' HD11 ' A' ' 12' ' ' LEU . 42.5 m-85 -114.47 104.92 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -99.63 150.16 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.07 120.76 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.88 173.97 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -52.87 154.82 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 p -129.61 167.53 17.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.547 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -144.31 122.94 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' CG ' HG22 ' A' ' 27' ' ' THR . 4.1 mtm180 -84.76 109.52 18.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mm -103.86 83.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.616 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 82.9 m-85 -53.99 -48.77 70.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.33 73.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -93.45 44.67 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 48.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.21 -41.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG3' ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.48 86.43 58.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -75.03 168.17 25.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.3 m120 81.75 -56.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.735 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.8 mp -62.34 142.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.0 -80.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -144.33 152.48 40.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.85 145.96 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.408 HG22 ' CG ' ' A' ' 13' ' ' ARG . 10.7 p -131.3 111.45 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.8 pt -107.6 154.12 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.32 118.03 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.2 tp -120.94 158.93 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.0 m -124.05 171.07 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -85.21 6.82 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.5 p -118.58 -35.89 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -48.96 176.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -127.07 -175.4 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.5 -53.0 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.06 -45.5 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.78 -57.97 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -53.0 -46.07 68.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' CD1' ' A' ' 105' ' ' LEU . 2.6 t -50.24 -69.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -41.97 -48.59 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -57.16 -56.71 18.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 t -48.24 -52.17 22.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 54' ' ' PRO . 29.4 mt -47.6 -68.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' GLY . 20.9 mt-10 -49.42 -59.68 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 3.9 mmtt -40.26 -50.39 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' HG3' ' A' ' 20' ' ' LYS . 2.3 m-85 -68.43 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 123.49 39.02 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.2 mm? -124.29 59.9 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.45 -46.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.39 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 8.2 t30 -114.08 122.44 34.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.03 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -11.98 47.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -89.52 -33.71 16.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 27.2 m-85 -101.62 134.62 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 178.94 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.618 HG12 HG23 ' A' ' 40' ' ' VAL . 29.9 mm -101.95 105.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.11 119.32 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HD3' HD21 ' A' ' 81' ' ' LEU . 15.0 ptt-85 -89.33 130.22 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 78' ' ' GLU . 6.1 t -107.67 120.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.406 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -107.96 125.74 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 124.02 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.774 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.1 pt-20 -95.34 156.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.4 114.19 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.6 mm -50.2 155.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD21 ' HD3' ' A' ' 61' ' ' ARG . 18.3 mt -106.59 152.99 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.81 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.99 -45.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -92.95 23.12 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.72 179.43 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -132.82 112.24 13.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.598 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -12.02 21.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 tp -91.89 -56.3 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -35.04 73.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 62.4 mt -64.12 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -54.26 -59.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -30.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.61 42.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.1 t-105 -115.61 130.85 24.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.568 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.04 112.68 3.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.0 p -58.11 -20.67 41.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -46.29 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.7 mtpt -50.56 -36.01 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.55 -166.93 25.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -78.47 154.79 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 15.7 tp -122.07 138.39 54.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.616 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.72 142.87 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 70.6 m-85 -119.76 107.94 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -98.76 168.32 10.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.662 ' CD1' HG22 ' A' ' 40' ' ' VAL . 9.3 tp -117.33 101.13 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -130.26 172.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.35 120.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -158.52 133.26 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.01 106.08 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.95 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.732 ' CE2' HG13 ' A' ' 102' ' ' VAL . 98.1 m-85 -57.05 -48.66 77.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.23 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.51 53.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.5 t -178.53 48.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.46 HD11 ' CE1' ' A' ' 57' ' ' TYR . 5.9 tp -170.66 -41.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -136.96 92.88 13.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -42.18 -59.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -79.94 140.27 54.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -129.64 157.1 43.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.1 tptt -132.43 142.37 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.7 p -124.57 111.03 15.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 46' ' ' LYS . 5.4 pt -109.84 155.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.91 108.14 12.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' CD1' HD11 ' A' ' 28' ' ' ILE . 1.1 tp -104.17 159.04 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.621 ' C ' HD23 ' A' ' 88' ' ' LEU . 5.3 m -123.97 143.12 50.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.648 ' N ' HD23 ' A' ' 88' ' ' LEU . 13.6 p -53.96 -22.42 10.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -86.56 -39.72 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -53.61 163.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 61.0 p -126.86 -169.08 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -72.81 -46.65 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.42 -44.61 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -71.88 -53.66 12.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.4 -44.33 65.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.4 t -48.99 -68.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.2 -54.63 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.1 mm-40 -48.69 -68.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' GLU . 32.7 t -38.77 -53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.603 HD11 ' HD2' ' A' ' 57' ' ' TYR . 44.2 mt -48.99 -66.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.61 -53.61 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 28' ' ' ILE . 22.8 mmtt -46.2 -53.01 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 2.3 m-85 -64.64 -26.38 68.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.87 32.21 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.5 65.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -94.94 44.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.02 -46.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -49.68 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.17 122.54 41.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 -25.78 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 4.8 mtmt -66.18 -11.31 48.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.19 -32.34 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.603 ' HD2' HD11 ' A' ' 44' ' ' LEU . 13.1 m-85 -103.22 142.71 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.25 174.69 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.612 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 10.7 mm -102.46 110.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.807 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -103.36 121.85 43.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HD3' HD21 ' A' ' 81' ' ' LEU . 16.5 ptt180 -89.48 127.43 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.4 t -100.05 115.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -111.51 126.93 55.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -132.08 138.73 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.814 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -112.63 160.69 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.3 120.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.807 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.2 mm -54.44 153.84 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' HD3' ' A' ' 61' ' ' ARG . 11.2 mt -102.67 167.31 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.96 -42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -97.28 24.33 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' THR . 0.6 OUTLIER -79.11 -174.29 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.552 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.6 p -134.42 108.52 11.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -28.73 8.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 32' ' ' THR . 16.5 tp -77.53 -60.92 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -51.53 -42.89 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 86' ' ' CYS . 47.9 mt -58.21 -48.55 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -63.27 -43.51 97.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.53 -40.24 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.97 55.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.0 t-105 -116.16 131.46 23.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.573 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 119.09 5.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.7 p -60.86 -34.78 75.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -41.87 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 0.8 OUTLIER -54.59 -31.64 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.58 167.35 11.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -61.67 152.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.0 tp -122.28 135.88 54.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.732 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.4 t -145.82 139.33 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.587 ' HD2' HD11 ' A' ' 12' ' ' LEU . 52.2 m-85 -114.75 111.72 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -100.08 165.44 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -129.73 119.38 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 175.62 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' HD22 ' A' ' 12' ' ' LEU . 8.9 p -124.21 166.99 14.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -146.79 126.51 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 94.98 9.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.0 86.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.667 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 85.3 m-85 -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.651 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . . . 39.47 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.42 67.74 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -171.06 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 19' ' ' LEU . 9.4 tp -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -136.4 92.25 15.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -143.47 -56.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.713 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.6 mp -71.55 142.46 86.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -57.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -161.3 160.62 29.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CD ' HG21 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -131.68 145.48 51.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -126.59 111.3 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.484 HG21 ' HG3' ' A' ' 46' ' ' LYS . 4.7 pt -108.92 153.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 110.38 9.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.48 160.66 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.541 ' C ' HD23 ' A' ' 88' ' ' LEU . 4.9 p -123.83 141.29 52.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.705 ' N ' HD23 ' A' ' 88' ' ' LEU . 11.0 p -45.26 -27.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 33' ' ' THR . 15.1 t -111.15 57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -114.7 169.42 9.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -121.26 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.53 89.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -35.34 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -73.27 -50.81 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.445 HG11 ' O ' ' A' ' 54' ' ' PRO . 2.9 t -44.15 -66.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -56.35 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -47.57 -68.97 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.409 ' OG ' HD22 ' A' ' 105' ' ' LEU . 23.9 t -38.55 -56.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 54' ' ' PRO . 35.7 mt -45.02 -66.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.1 -52.63 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG3' HG21 ' A' ' 28' ' ' ILE . 6.2 mmtt -47.61 -50.05 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.651 ' OH ' ' HB3' ' A' ' 16' ' ' ALA . 3.9 m-85 -65.16 -30.2 71.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.3 6.04 9.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.97 54.25 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -82.81 50.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -45.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.45 170.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.594 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 1.3 t-20 -98.95 127.19 35.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.494 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -2.42 12.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.19 3.36 55.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -108.99 -11.48 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 5.5 m-85 -126.96 142.37 51.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.407 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -128.64 -175.03 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.587 ' O ' HD12 ' A' ' 81' ' ' LEU . 14.7 mm -109.79 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.06 120.95 39.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HD3' HD21 ' A' ' 81' ' ' LEU . 26.2 ptt180 -89.45 134.62 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 78' ' ' GLU . 8.3 t -108.34 114.04 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.411 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.3 mtm -110.56 132.52 54.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.709 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.709 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 123.18 26.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.727 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -85.89 150.38 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -132.95 117.65 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.9 mm -47.99 154.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 59' ' ' ILE . 4.4 mt -101.64 155.55 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.02 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.64 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -109.0 35.26 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.565 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -81.47 -178.47 6.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 9.6 m -129.27 106.23 17.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -29.0 8.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.705 HD23 ' N ' ' A' ' 32' ' ' THR . 22.0 tp -74.07 -53.5 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.565 HD11 ' OE1' ' A' ' 85' ' ' GLU . 57.4 mt -63.42 -48.11 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.83 -48.84 59.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' CD ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -61.27 -49.23 77.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.04 47.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.2 t-105 -116.64 131.92 23.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.596 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.93 126.56 10.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.3 p -67.52 -33.29 74.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -31.94 72.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 4.1 mttt -64.33 -28.14 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.25 177.37 15.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -67.02 150.53 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.82 137.49 54.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -147.17 149.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD2' HD11 ' A' ' 12' ' ' LEU . 61.2 m-85 -119.02 118.18 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -108.89 163.59 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -126.98 120.61 29.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 177.72 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 139.94 58.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.447 ' NH1' ' C ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -168.14 131.93 1.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -95.36 128.57 42.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.67 -155.25 7.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 55.1 89.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.759 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -148.66 137.32 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.3 -113.38 4.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 t -135.55 -54.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 0.783 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.65 -74.25 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA3' HD21 ' A' ' 88' ' ' LEU . . . 155.49 166.98 16.36 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -129.38 151.3 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -139.19 127.22 22.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.72 103.93 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -95.88 89.69 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.688 ' CE2' HG13 ' A' ' 102' ' ' VAL . 92.4 m-85 -66.54 -46.44 76.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . 40.3 62.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.67 81.39 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.29 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 -34.3 74.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.6 mmtt -143.96 92.35 6.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -38.92 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -44.64 -56.88 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.3 mp -78.11 142.07 63.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 -82.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -130.48 155.52 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -126.67 144.54 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -131.69 120.35 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.735 HG22 ' CE ' ' A' ' 46' ' ' LYS . 3.0 pt -122.14 151.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.28 108.26 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.3 tp -109.11 160.14 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.766 ' C ' HD23 ' A' ' 88' ' ' LEU . 70.2 m -124.18 168.13 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -86.81 50.65 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 17.7 m-20 -41.81 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -106.53 -174.41 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.73 16.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -43.41 -54.84 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -51.43 -56.36 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.35 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 105' ' ' LEU . 3.1 t -44.31 -64.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -46.05 -58.13 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.6 -62.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.4 t -46.87 -48.19 21.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 57' ' ' TYR . 13.8 mt -52.96 -66.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.7 -49.32 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.735 ' CE ' HG22 ' A' ' 28' ' ' ILE . 4.1 mmmt -45.8 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -54.83 -24.41 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.71 33.24 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 52' ' ' GLU . 2.1 mm? -109.61 54.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.26 47.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.18 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.0 mm-40 -48.19 165.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.75 114.11 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.481 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.01 -15.83 20.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.78 -23.61 55.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.66 -42.22 29.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.5 m-85 -89.05 148.92 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.21 -171.6 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 81' ' ' LEU . 7.4 mm -112.17 99.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.666 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -90.31 119.11 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HG2' HD21 ' A' ' 81' ' ' LEU . 28.6 ptt180 -89.21 134.54 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 78' ' ' GLU . 10.6 t -108.33 119.41 57.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtm -112.09 130.69 55.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.709 HD11 ' HA ' ' A' ' 73' ' ' GLU . 1.5 mm? -71.41 153.03 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 166.87 28.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.39 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.789 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.87 68.74 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.475 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -141.14 132.49 26.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.95 71.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -164.49 -54.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -172.86 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.78 147.86 25.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.709 ' HA ' HD11 ' A' ' 64' ' ' LEU . 1.4 mp0 48.27 28.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 106.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.18 56.21 2.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.34 147.5 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 122.02 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.716 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.2 pt-20 -97.26 153.0 18.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.91 117.0 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.666 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 6.7 mm -50.6 155.62 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD21 ' HG2' ' A' ' 61' ' ' ARG . 9.7 mt -103.86 159.08 15.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.22 -36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.25 28.12 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.84 -176.37 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.4 m -129.62 110.06 17.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.01 -14.13 21.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.766 HD23 ' C ' ' A' ' 31' ' ' SER . 21.1 tp -93.61 -55.98 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -56.73 -44.71 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.36 -53.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.98 -50.18 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.36 -42.23 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -115.29 52.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 67.6 t-105 -110.87 131.2 22.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -64.71 -32.06 73.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.17 -36.41 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.3 mtpt -64.89 -19.41 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.58 165.33 14.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.496 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -58.13 155.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 5.0 tp -122.25 132.7 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.688 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -137.02 141.04 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 12' ' ' LEU . 51.0 m-85 -115.99 102.82 9.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -97.35 153.17 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CD1' HG22 ' A' ' 40' ' ' VAL . 5.4 tp -107.18 113.05 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.13 160.67 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -51.63 154.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.42 161.42 31.71 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 120.48 6.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.6 92.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.47 165.04 33.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.19 40.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m 56.23 104.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.441 ' OG ' ' NH2' ' A' ' 107' ' ' ARG . 6.3 p -71.77 -57.98 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 58.21 93.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.16 -97.74 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t -94.55 92.6 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 0.714 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -86.46 128.84 35.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.5 65.08 0.6 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.74 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 0.728 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 37.87 -130.27 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.58 -137.8 2.44 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.616 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -140.23 126.16 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.582 ' C ' HD13 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -86.24 117.59 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 13' ' ' ARG . 3.1 mm -114.39 84.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.69 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.8 m-85 -58.03 -48.07 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.4 64.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -85.66 80.82 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.41 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.97 -37.35 87.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 6.7 mmtt -141.76 94.38 7.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.44 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -50.08 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.615 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.3 mp -75.69 141.27 72.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -88.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -122.11 160.79 24.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -136.12 144.33 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.554 HG22 ' HG3' ' A' ' 13' ' ' ARG . 30.7 p -131.32 111.48 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.555 HG21 ' HG3' ' A' ' 46' ' ' LYS . 6.1 pt -108.03 156.42 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.16 107.78 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.1 tp -110.58 160.07 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.696 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -124.13 175.44 7.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -92.86 33.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.22 -45.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -52.8 174.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.7 p -128.76 -167.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.729 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.77 -40.96 89.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -71.53 -52.85 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -55.82 -43.37 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 36' ' ' ALA . 9.0 t -48.78 -67.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.9 -53.02 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 50.0 mm-40 -52.49 -68.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 19.8 t -38.19 -59.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 54' ' ' PRO . 26.9 mt -40.61 -66.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.35 -52.97 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HG3' HG21 ' A' ' 28' ' ' ILE . 6.5 mmtt -45.43 -41.27 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.1 m-85 -79.22 -31.33 43.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.4 37.81 0.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.02 56.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -89.31 48.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' GLU . 1.3 mtpt -155.77 -45.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 51' ' ' LYS . 19.0 mm-40 -51.53 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.551 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -109.3 123.54 36.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.5 Cg_endo -74.96 -31.0 6.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.557 1.82 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -66.44 -11.99 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.21 -34.2 20.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 42.0 m-85 -98.91 153.81 18.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -137.58 165.88 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 108.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.426 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 18.5 mm -97.6 115.14 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.591 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -104.88 125.55 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HD3' HD21 ' A' ' 81' ' ' LEU . 19.7 ptt180 -89.29 121.07 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.745 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.6 t -98.65 121.64 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.536 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -107.79 121.18 44.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.3 mm? -79.45 147.29 67.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.04 163.97 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 84.98 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.551 1.816 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.35 80.68 1.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -126.83 -175.37 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -105.55 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.45 154.94 19.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.611 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m 43.38 58.35 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER 174.46 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 64' ' ' LEU . 17.9 mt-10 57.36 -86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' ASP . 2.5 mtt180 61.35 78.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.23 -18.98 4.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -67.49 126.58 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -128.75 137.68 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.745 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.1 pt-20 -113.9 147.8 37.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -123.16 127.46 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -56.99 147.43 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.611 HD21 ' HD3' ' A' ' 61' ' ' ARG . 6.9 mt -95.39 168.88 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 4.3 t0 -55.98 -67.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 1.7 t0 156.13 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -106.13 15.96 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.82 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 m -116.21 107.22 47.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.574 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -10.71 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.696 HD23 ' C ' ' A' ' 31' ' ' SER . 15.2 tp -94.73 -54.03 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.64 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.5 mt -56.61 -49.9 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.415 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 15.1 t80 -53.07 -60.61 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -31.69 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -103.93 44.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.572 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.3 t-105 -115.61 130.76 24.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.94 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.5 p -56.31 -26.91 53.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.63 -33.55 76.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 5.1 mtpp -69.13 -17.57 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.16 -166.8 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.502 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.5 mm -80.73 157.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 10.7 tp -121.89 142.06 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.7 t -145.99 146.61 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.616 ' CD2' HD11 ' A' ' 12' ' ' LEU . 54.3 m-85 -122.19 104.9 9.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -98.41 160.69 14.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 128.4 52.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.45 174.89 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 163.87 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.98 152.21 62.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.25 5.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 t 61.96 75.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.55 -147.47 10.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.8 4.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.0 p -104.55 156.88 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.0 t -141.93 127.68 19.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.01 99.67 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -87.81 162.0 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 131.21 2.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -58.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -61.27 164.26 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.21 -111.98 3.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m 57.84 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.99 -92.88 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.17 -133.91 1.81 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.433 HG22 HD22 ' A' ' 29' ' ' LEU . 22.0 p -129.58 167.52 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.609 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -139.66 127.11 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.24 110.9 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.5 mm -108.36 94.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -64.37 -46.37 83.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 63.39 49.16 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.16 69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER 170.61 -72.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.13 -43.43 66.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -137.56 86.58 18.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.46 18.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -62.39 -72.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -55.01 142.22 57.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -172.08 158.86 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 16.1 mmtt -136.62 152.81 50.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -130.46 132.95 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.682 HG22 ' HE2' ' A' ' 46' ' ' LYS . 4.3 pt -129.85 158.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD22 HG22 ' A' ' 11' ' ' THR . 1.5 mm? -76.65 104.96 7.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -108.54 159.96 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -124.05 161.6 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.477 ' CG2' ' NH1' ' A' ' 92' ' ' ARG . 18.9 p -80.31 54.9 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ASP . 3.8 t -174.99 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' THR . 8.1 m-20 -39.92 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -100.95 164.06 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -66.11 -18.13 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.99 -43.16 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -65.38 -41.49 93.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -65.44 -46.64 79.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 36' ' ' ALA . 5.2 t -49.21 -56.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -53.16 -60.71 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' CB ' HD13 ' A' ' 28' ' ' ILE . 34.7 mm-40 -44.27 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.425 ' OG ' HD22 ' A' ' 105' ' ' LEU . 46.8 t -42.57 -55.35 3.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.762 HD21 ' HD2' ' A' ' 57' ' ' TYR . 13.9 mt -44.65 -64.36 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 19.7 mt-10 -46.49 -53.84 10.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.682 ' HE2' HG22 ' A' ' 28' ' ' ILE . 6.0 mmmt -41.84 -63.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 21.4 m-85 -57.73 -25.55 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 115.39 3.05 21.17 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD22 ' CB ' ' A' ' 47' ' ' TYR . 1.2 mm? -79.43 55.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.88 46.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -156.17 -46.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 7.6 mm-40 -44.33 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.01 113.8 59.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -74.99 -8.23 19.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.11 -22.43 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -80.95 -40.09 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.762 ' HD2' HD21 ' A' ' 44' ' ' LEU . 4.9 m-30 -88.32 158.59 18.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.81 -176.22 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.74 114.96 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -100.54 122.41 43.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' CD ' HD21 ' A' ' 81' ' ' LEU . 24.8 ptt180 -89.48 133.1 34.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.4 t -107.94 117.12 52.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.1 mtm -106.47 122.53 46.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.726 HD11 ' HA ' ' A' ' 73' ' ' GLU . 1.9 mm? -72.32 150.45 91.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.57 24.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.76 -32.01 80.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.1 135.8 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.67 54.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.61 171.48 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.641 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.4 p -88.95 82.62 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 178.4 136.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.726 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.45 97.5 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 107.1 17.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -75.54 145.37 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.8 tttt -117.76 139.02 51.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.578 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -116.84 150.67 38.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.7 mt -127.76 127.69 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 60' ' ' ALA . 9.4 mm -56.72 156.32 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' A' ' 61' ' ' ARG . 63.1 mt -114.41 166.0 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.52 22.79 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 30.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -82.06 168.98 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.559 ' O ' HD12 ' A' ' 90' ' ' ILE . 6.5 m -117.34 100.02 52.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -19.58 17.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.53 HD11 ' NE ' ' A' ' 92' ' ' ARG . 7.5 tp -88.69 -62.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -49.96 -40.28 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 86' ' ' CYS . 45.1 mt -57.74 -60.47 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.425 ' HA ' HD22 ' A' ' 101' ' ' LEU . 39.7 t80 -43.19 -54.17 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NE ' HD11 ' A' ' 88' ' ' LEU . 2.2 mpt_? -54.72 -41.29 70.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -100.8 41.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 101' ' ' LEU . 70.9 t-105 -113.45 131.04 23.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.566 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 109.85 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.5 p -52.44 -31.28 33.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.83 -43.6 94.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.8 mtpp -55.7 -23.39 28.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.56 167.21 12.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -58.0 154.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.2 tp -121.91 139.95 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.2 t -147.8 151.22 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD2' HD11 ' A' ' 12' ' ' LEU . 74.1 m-85 -125.41 113.76 17.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -107.19 142.04 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 40' ' ' VAL . 5.6 tp -90.14 113.23 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 164.43 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 177.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.96 73.93 65.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.19 23.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.46 38.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.6 m -146.96 145.02 29.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 145.38 -146.23 16.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -20.13 17.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m 53.33 81.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.959 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.2 p -93.18 -56.53 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.19 128.56 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 0.0 110.045 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -158.12 120.94 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 139.24 1.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -113.18 100.26 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -105.45 165.31 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.045 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.63 -144.28 18.38 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.544 1.152 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 p -160.71 85.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.56 178.25 48.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 29' ' ' LEU . . . -156.07 -139.09 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 p -129.63 167.62 17.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -147.2 122.81 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.49 115.61 18.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -114.54 85.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.7 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.7 m-85 -60.15 -47.94 83.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 42.89 49.72 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -73.38 78.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.63 -54.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.67 -34.66 78.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.655 ' HE3' HD21 ' A' ' 49' ' ' LEU . 3.0 mmtt -141.59 91.82 8.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.92 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -54.92 -56.97 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.6 mp -80.85 141.08 50.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -46.08 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.61 156.68 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -141.88 144.22 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -125.67 118.79 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.608 HG21 ' HG3' ' A' ' 46' ' ' LYS . 7.6 pt -106.4 157.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 10' ' ' GLY . 1.7 mm? -75.24 107.33 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.67 159.78 17.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.812 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -124.01 176.33 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 p -96.45 37.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.74 -45.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.86 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.498 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 7.3 p -123.84 -172.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.51 -42.75 61.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.9 -48.41 51.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.67 -52.18 61.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.83 -40.85 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 36' ' ' ALA . 20.0 t -53.1 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.44 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.2 mm-40 -45.13 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.481 ' OG ' HD22 ' A' ' 105' ' ' LEU . 44.1 t -38.09 -56.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 57' ' ' TYR . 43.2 mt -46.47 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.12 -50.51 58.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 28' ' ' ILE . 11.5 mmtt -52.21 -41.85 63.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.55 -20.86 58.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.34 3.93 27.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.655 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.2 mm? -89.49 57.57 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -153.9 -46.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.47 171.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.89 116.63 66.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 -27.78 9.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.7 62.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.09 -40.74 14.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.3 m-85 -91.99 152.29 20.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -176.82 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mm -110.27 109.43 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -104.08 121.79 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.871 ' HG2' HD21 ' A' ' 81' ' ' LEU . 27.0 ptt180 -89.73 133.11 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.846 HG22 ' HB3' ' A' ' 78' ' ' GLU . 14.8 t -105.28 118.65 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.9 mtm -111.65 122.25 47.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.47 154.9 93.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.01 170.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.82 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.12 79.1 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -135.38 -75.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -167.55 151.44 6.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -122.21 62.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.62 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.7 -173.93 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 102.64 11.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 102.0 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.0 48.92 18.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HB1' HG12 ' A' ' 62' ' ' VAL . . . -72.61 154.89 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.56 118.83 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.846 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -103.79 152.12 22.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -134.34 117.32 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 60' ' ' ALA . 5.1 mm -50.72 158.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD21 ' HG2' ' A' ' 61' ' ' ARG . 4.7 mt -115.34 -177.63 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.58 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -118.16 13.11 13.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.498 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 2.7 p-10 -146.6 22.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.535 ' OE1' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -74.77 177.52 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.589 ' O ' HD12 ' A' ' 90' ' ' ILE . 39.1 m -133.07 104.09 12.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.517 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.02 -13.97 21.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.812 HD23 ' C ' ' A' ' 31' ' ' SER . 9.7 tp -88.66 -62.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -52.9 -40.48 63.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 86' ' ' CYS . 44.6 mt -55.97 -63.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.413 ' HA ' HD22 ' A' ' 101' ' ' LEU . 35.2 t80 -41.69 -52.83 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.507 ' HD2' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -54.62 -42.68 71.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.88 45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.0 t-105 -115.98 130.83 24.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 120.38 6.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.7 p -64.96 -21.71 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.24 -34.29 75.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.1 mtpt -66.22 -29.33 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.21 -174.67 19.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -75.18 154.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.462 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 8.1 tp -120.64 138.77 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.7 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.5 t -147.4 140.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CD2' HD11 ' A' ' 12' ' ' LEU . 67.6 m-85 -114.9 113.94 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.31 163.96 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD22 ' OG ' ' A' ' 43' ' ' SER . 2.6 tp -123.31 109.63 14.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 -177.55 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 166.63 7.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.3 154.95 72.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.92 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -57.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -118.77 97.2 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.14 157.59 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.93 11.08 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 t -136.09 -58.46 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.4 t -49.63 143.01 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -173.86 112.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -162.76 133.86 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.3 -125.71 3.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -162.06 132.3 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 159.36 4.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.54 -133.44 30.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -131.3 166.24 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.19 -77.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.81 171.76 30.45 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -129.51 148.21 51.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.654 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -135.73 132.33 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' HG22 ' A' ' 27' ' ' THR . 0.9 OUTLIER -100.4 107.23 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mm -98.24 83.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.676 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.8 m-85 -59.77 -48.76 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 15' ' ' TYR . . . 66.83 -71.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' TYR . 8.0 t70 48.09 38.13 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -151.72 -55.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.58 -25.87 61.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.0 mmtt -146.52 96.47 4.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -44.19 -60.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.1 mp -75.32 142.07 74.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 -84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.21 156.76 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -124.1 146.87 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.717 HG22 ' HG2' ' A' ' 13' ' ' ARG . 71.4 p -129.35 113.5 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.725 HG22 ' HE3' ' A' ' 46' ' ' LYS . 4.1 pt -117.33 153.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.54 103.63 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -105.28 159.23 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' HD23 ' A' ' 88' ' ' LEU . 5.8 p -124.65 173.81 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.0 p -88.23 40.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -151.16 -44.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -38.86 157.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 1.4 p -112.89 148.72 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -47.26 -25.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.51 -43.35 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' THR . 7.2 t80 -69.69 -46.6 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.92 67.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 36' ' ' ALA . 2.5 t -41.21 -63.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -45.12 -58.79 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.45 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.58 ' OG ' HD22 ' A' ' 105' ' ' LEU . 46.4 t -43.1 -56.43 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.722 HD21 ' HD2' ' A' ' 57' ' ' TYR . 19.5 mt -42.74 -63.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.0 mt-10 -46.01 -54.13 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HE3' HG22 ' A' ' 28' ' ' ILE . 2.8 mmmt -42.22 -66.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 105.43 28.06 5.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.2 mm? -103.95 54.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.53 45.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -154.11 -46.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.76 165.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -90.6 112.67 54.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -15.8 20.59 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -76.65 -19.42 57.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -32.7 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.722 ' HD2' HD21 ' A' ' 44' ' ' LEU . 2.5 m-30 -94.41 149.17 21.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.41 -173.41 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 108.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.6 mm -113.03 103.08 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.761 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -97.42 119.9 36.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.626 ' CD ' HD21 ' A' ' 81' ' ' LEU . 19.2 ptt180 -89.08 135.84 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.1 t -105.97 116.62 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.499 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -101.04 115.27 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.52 155.25 91.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.75 19.73 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -43.15 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.99 56.57 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.65 179.35 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -84.18 51.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 78.25 -62.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -144.47 -46.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 110.038 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -40.61 127.06 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.17 98.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 94.33 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.5 49.18 27.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.81 145.32 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 125.82 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.802 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -112.08 154.38 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.67 124.69 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.761 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 10.0 mm -60.38 150.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.626 HD21 ' CD ' ' A' ' 61' ' ' ARG . 4.8 mt -105.4 -176.18 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -176.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.95 13.74 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -162.64 40.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -94.83 164.92 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.4 m -106.96 106.68 58.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.522 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.0 -20.55 16.75 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.629 ' HB2' HD23 ' A' ' 12' ' ' LEU . 16.5 tp -86.04 -54.13 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -34.67 66.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.444 HD11 ' CD ' ' A' ' 85' ' ' GLU . 71.4 mt -69.96 -48.66 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.74 -43.49 47.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.425 ' HD2' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.52 -46.18 87.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.87 42.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.583 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.4 t-105 -113.75 130.98 23.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.583 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 120.81 6.22 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.8 p -63.18 -32.35 73.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.39 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.6 mtpt -63.16 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 129.08 176.87 14.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.485 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.2 mm -65.87 154.62 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 6.9 tp -122.36 137.71 54.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.676 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.0 t -145.6 142.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.654 ' CD2' HD11 ' A' ' 12' ' ' LEU . 68.0 m-85 -115.3 111.03 20.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.99 168.61 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.58 HD22 ' OG ' ' A' ' 43' ' ' SER . 3.2 tp -125.59 106.36 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 168.46 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 169.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.77 161.92 56.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.84 3.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.86 6.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.86 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 165.84 157.17 9.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.81 86.38 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.81 110.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -74.25 81.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.51 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.65 148.12 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -66.61 142.56 57.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.07 100.39 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 96.58 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.3 p -179.4 143.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.83 -138.46 13.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -137.23 4.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.547 HG22 HD22 ' A' ' 29' ' ' LEU . 24.9 p -129.64 167.35 18.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.345 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -140.26 125.16 18.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' C ' HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -85.16 117.02 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.463 HD13 ' C ' ' A' ' 13' ' ' ARG . 4.0 mm -111.56 80.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.597 ' CE2' HG13 ' A' ' 102' ' ' VAL . 84.1 m-85 -54.62 -48.82 71.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.94 87.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 18' ' ' SER . 27.7 t0 -100.64 64.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 162.19 53.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -173.82 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' A' ' 49' ' ' LEU . 7.6 mmtt -143.75 91.86 6.59 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.69 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.06 -56.32 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.591 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.0 mp -84.61 140.96 38.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 -76.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.23 137.11 53.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -121.92 117.29 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.699 HG22 ' CE ' ' A' ' 46' ' ' LYS . 5.5 pt -117.92 156.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 11' ' ' THR . 1.6 mm? -76.43 104.61 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.6 tp -106.84 158.91 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.534 HG22 ' CD2' ' A' ' 88' ' ' LEU . 20.9 p -91.62 47.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.48 -44.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -48.66 173.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 6.7 p -120.52 174.51 6.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -67.89 -30.7 70.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.74 -40.03 95.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -69.49 -49.51 54.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.52 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD12 ' A' ' 105' ' ' LEU . 2.7 t -42.71 -59.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.11 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.15 -64.57 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.22 -48.5 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 57' ' ' TYR . 21.3 mt -53.87 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.699 ' CE ' HG22 ' A' ' 28' ' ' ILE . 3.9 mmmt -44.9 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -55.53 -23.3 25.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.21 14.49 13.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.1 mm? -89.26 54.89 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.48 43.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -150.14 -46.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.55 172.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.15 117.36 65.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.97 -11.2 21.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -13.09 55.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.03 -40.99 12.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.756 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.7 m-85 -91.63 148.05 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -173.91 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.57 ' O ' HD12 ' A' ' 81' ' ' LEU . 15.1 mm -108.78 105.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -97.45 119.66 36.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' HD3' HD21 ' A' ' 81' ' ' LEU . 12.2 ptt180 -89.21 125.94 35.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.742 HG22 ' HB3' ' A' ' 78' ' ' GLU . 5.7 t -103.64 115.4 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.563 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -105.33 117.57 34.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD21 ' HG2' ' A' ' 73' ' ' GLU . 1.8 mm? -71.79 154.52 92.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.86 32.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 84.59 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.12 61.35 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.41 145.72 50.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.93 104.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -47.75 156.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.598 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.95 -59.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.96 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.61 122.1 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HG2' HD21 ' A' ' 64' ' ' LEU . 5.7 mt-10 -116.98 84.84 2.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -99.39 -59.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.69 68.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.28 147.98 40.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.733 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -127.92 122.16 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.742 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -105.34 155.66 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mt -135.61 106.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -42.12 154.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 59' ' ' ILE . 1.4 mt -103.4 156.44 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.76 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 170.74 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 20.3 m-20 -103.62 30.4 5.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -87.77 175.73 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 115.01 29.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.483 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.534 ' CD2' HG22 ' A' ' 32' ' ' THR . 25.3 tp -83.01 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -50.34 -43.05 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 85' ' ' GLU . 47.4 mt -56.61 -42.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.25 -51.49 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -54.48 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.33 49.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.7 t-105 -102.8 130.04 24.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 p -66.14 -16.97 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -77.31 -22.17 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 1.1 mttt -76.08 -27.98 57.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.02 179.02 15.56 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.546 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.1 mm -66.57 154.31 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 10.5 tp -122.08 137.83 54.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.597 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -146.26 141.07 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD2' HD11 ' A' ' 12' ' ' LEU . 47.2 m-85 -116.24 105.6 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -101.01 141.62 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -100.0 121.53 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 -173.45 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 164.36 26.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.9 161.02 60.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 127.7 10.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.68 120.41 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.11 100.98 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 57.07 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -178.79 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -106.69 109.24 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -110.18 134.04 52.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m 63.51 139.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.28 158.0 19.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.415 1.072 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -82.53 144.42 30.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -159.07 124.31 4.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.75 -78.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.23 154.72 45.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.04 -77.94 0.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.56 161.51 10.29 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.651 HG22 HD22 ' A' ' 29' ' ' LEU . 1.2 p -122.6 138.07 54.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -116.4 134.14 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG2' HG22 ' A' ' 27' ' ' THR . 2.6 mtt85 -95.53 107.52 19.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 mm -106.13 87.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.506 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 87.0 m-85 -63.17 -46.69 85.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 15' ' ' TYR . . . 72.06 -64.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t0 39.95 50.42 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -171.3 -58.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 57' ' ' TYR . 7.2 tp -74.65 -25.09 58.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.48 96.48 7.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 85.9 m-20 63.46 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -39.63 140.97 0.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -139.0 150.41 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -116.76 141.25 48.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 13' ' ' ARG . 80.6 p -125.3 110.58 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.496 HG21 ' HG3' ' A' ' 46' ' ' LYS . 3.6 pt -108.38 152.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD22 HG22 ' A' ' 11' ' ' THR . 1.3 mm? -73.95 115.48 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -119.97 158.82 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.965 ' C ' HD23 ' A' ' 88' ' ' LEU . 66.0 m -124.2 173.8 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -88.2 61.92 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.6 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -38.98 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 p -105.65 151.6 24.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.48 62.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -54.35 48.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.96 -48.6 72.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.487 HG23 HG12 ' A' ' 59' ' ' ILE . 2.5 t -47.86 -58.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.36 -53.77 26.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.4 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.451 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.4 p -40.2 -53.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 57' ' ' TYR . 39.4 mt -48.85 -67.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.55 -50.81 52.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HG3' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -52.17 -46.55 65.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -71.07 -25.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.02 29.38 3.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.3 mm? -112.89 59.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -87.68 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.17 -46.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.11 166.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 116.69 66.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 -30.16 7.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -65.35 -14.48 60.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -88.46 -39.97 13.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.59 ' HD2' HD21 ' A' ' 44' ' ' LEU . 3.8 m-30 -91.84 147.28 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.76 -171.78 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.487 HG12 HG23 ' A' ' 40' ' ' VAL . 17.0 mm -113.74 104.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.729 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -96.66 120.18 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 16.3 ptt180 -90.78 133.77 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 78' ' ' GLU . 11.8 t -107.44 118.36 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.94 120.26 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.79 156.0 90.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.95 3.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.83 -49.69 0.91 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.53 112.92 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -85.89 -59.56 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.4 p -127.94 78.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.36 102.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.44 85.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.22 -53.48 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.81 55.44 3.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.22 130.94 57.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -113.5 141.36 47.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.802 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -123.2 150.99 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.33 124.87 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.729 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 10.5 mm -58.78 159.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD11 ' HE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -118.33 -176.78 3.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -177.72 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.28 20.6 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.32 36.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.49 -177.61 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.562 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.2 p -129.72 100.27 19.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 108.254 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.965 HD23 ' C ' ' A' ' 31' ' ' SER . 14.1 tp -72.14 -63.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.31 -46.3 65.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 86' ' ' CYS . 46.0 mt -53.06 -47.14 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.36 -46.89 72.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -46.39 -44.26 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -108.71 48.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 62.2 t-105 -104.78 131.86 21.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.599 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 132.41 15.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -39.96 72.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.44 -37.63 65.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 3.1 mttp -59.09 -30.56 68.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.16 167.55 12.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.486 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.7 OUTLIER -59.6 149.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.407 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 1.3 tp -122.71 140.17 53.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.0 t -147.85 148.91 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 12' ' ' LEU . 45.7 m-85 -118.44 109.82 16.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -99.32 141.36 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 43' ' ' SER . 8.2 tp -94.35 103.36 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.97 179.33 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 175.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.47 148.13 64.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 18.4 Cg_endo -75.01 140.98 26.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 133.65 16.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -80.24 105.42 11.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.14 -86.23 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.97 18.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -161.68 134.12 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.08 141.93 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.34 97.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -107.69 165.83 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.9 -77.32 1.24 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.21 163.32 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -159.8 128.22 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.6 -137.23 4.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.66 155.0 10.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.84 -97.37 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.91 164.26 28.03 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.429 HG22 HD22 ' A' ' 29' ' ' LEU . 1.4 p -124.99 141.19 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -128.57 128.29 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.685 ' HG2' HG22 ' A' ' 27' ' ' THR . 5.5 mtt85 -96.34 111.25 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.403 HD13 ' C ' ' A' ' 13' ' ' ARG . 3.7 mm -100.54 84.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.664 ' CE2' HG13 ' A' ' 102' ' ' VAL . 89.2 m-85 -55.19 -48.4 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.08 65.65 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.32 70.2 10.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.79 -27.87 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.629 ' HE3' HD21 ' A' ' 49' ' ' LEU . 9.3 mttt -156.0 95.27 2.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.29 2.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -41.65 -62.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.697 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.9 mp -70.77 142.29 88.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -55.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.82 163.48 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.09 143.23 51.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 13' ' ' ARG . 71.3 p -129.25 111.42 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.881 HG22 ' HE2' ' A' ' 46' ' ' LYS . 3.2 pt -117.01 151.54 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD22 HG22 ' A' ' 11' ' ' THR . 1.4 mm? -79.06 106.03 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 39' ' ' ALA . 2.0 tp -101.57 161.93 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.86 155.45 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.446 HG22 ' CD2' ' A' ' 88' ' ' LEU . 79.5 p -79.09 53.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.54 -43.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.21 179.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 p -125.76 -170.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.776 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -73.65 -28.6 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.92 -43.91 94.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -67.14 -52.54 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -58.53 -41.12 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 36' ' ' ALA . 4.9 t -51.69 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -46.92 -52.24 14.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' CB ' HD13 ' A' ' 28' ' ' ILE . 2.6 mm-40 -47.87 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 16.6 t -43.8 -56.07 4.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 57' ' ' TYR . 32.5 mt -40.79 -61.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -47.84 -52.15 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.881 ' HE2' HG22 ' A' ' 28' ' ' ILE . 13.4 mmmt -45.68 -64.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.53 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 21.1 m-85 -55.54 -24.18 30.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.491 ' O ' HD13 ' A' ' 49' ' ' LEU . . . 107.4 45.29 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.629 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.9 mm? -125.41 61.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.5 44.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -45.47 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.79 118.3 63.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -16.62 20.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 1.9 mmtt -72.93 -5.97 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -98.1 -33.9 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.654 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.2 m-85 -94.87 135.87 35.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 80' ' ' ILE . 21.8 p -119.69 -177.13 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.776 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 11.8 mm -117.38 100.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.676 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -93.6 124.25 37.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HD3' HD21 ' A' ' 81' ' ' LEU . 10.9 ptt180 -89.21 131.47 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.9 t -105.39 115.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.3 mtm -107.89 116.33 31.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.16 154.86 88.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.59 33.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.83 59.61 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -41.83 -65.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 173.21 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 t -68.66 70.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.91 166.19 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.29 103.6 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 89.17 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.89 -55.24 4.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.02 169.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -132.37 118.33 19.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.759 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.65 150.87 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -129.86 123.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.4 mm -55.0 155.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 59' ' ' ILE . 12.7 mt -106.85 165.8 11.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.4 OUTLIER -66.54 -13.65 61.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 8.8 t0 88.35 -39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.28 8.78 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.501 ' CD ' HD11 ' A' ' 90' ' ' ILE . 1.3 mt-10 -82.44 172.52 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -106.33 112.84 63.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -17.35 19.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.446 ' CD2' HG22 ' A' ' 32' ' ' THR . 39.2 tp -86.35 -65.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -40.81 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 86' ' ' CYS . 48.8 mt -59.77 -49.47 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.77 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 58.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 68.8 t-105 -116.36 131.5 23.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.582 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.04 119.74 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -62.28 -31.03 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.53 -37.98 82.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 3.8 mtpt -59.34 -31.33 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.69 -177.96 17.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.532 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -68.74 152.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 9.3 tp -122.28 137.13 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.664 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.6 t -147.69 149.95 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 12' ' ' LEU . 51.0 m-85 -122.73 118.01 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.51 156.2 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.93 172.97 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 141.93 57.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -51.99 124.9 30.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.509 ' CD ' HD11 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.04 129.46 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.5 m -75.02 82.06 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.79 179.43 40.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.21 2.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 167.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -161.11 81.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -102.83 164.11 11.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.19 122.73 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.21 -175.55 30.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.65 125.95 4.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -140.92 141.11 34.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.49 10.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.1 t -155.63 -66.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -82.85 0.14 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 -139.49 4.59 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 p -129.6 167.55 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.41 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -146.88 127.02 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -87.02 106.36 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -103.65 85.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.646 ' CE2' HG13 ' A' ' 102' ' ' VAL . 96.1 m-85 -56.93 -48.1 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.13 50.3 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.41 73.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -178.0 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.3 -36.98 33.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HD3' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -127.74 90.76 47.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -74.98 170.57 20.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.3 m-20 79.03 -57.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -58.73 142.35 83.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.9 -76.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -145.48 156.43 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.592 ' HE2' HG21 ' A' ' 23' ' ' ILE . 4.7 mptt -127.43 141.39 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -129.43 111.54 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 6.2 pt -105.91 156.05 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.08 104.19 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.538 HD11 ' CB ' ' A' ' 39' ' ' ALA . 1.4 tp -107.26 159.6 16.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.508 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -124.1 178.21 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.147 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.1 p -88.73 -12.06 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -97.65 -35.99 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -58.68 154.62 14.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 71.5 p -108.63 -163.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.41 -57.38 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.82 -53.84 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 30' ' ' LEU . . . -54.88 -41.58 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG13 HD11 ' A' ' 105' ' ' LEU . 15.4 t -58.47 -65.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.2 -43.01 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.21 -61.05 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' TYR . 17.3 t -43.57 -57.54 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 57' ' ' TYR . 22.6 mt -41.18 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.4 -55.0 28.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 4.6 mmtt -47.54 -33.66 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.0 m-85 -84.38 -32.8 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.35 -7.05 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -78.13 57.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.46 44.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -154.24 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.42 178.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.29 123.84 36.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.511 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.01 -27.5 9.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -62.83 -13.88 39.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 78.7 m-20 -91.22 -35.81 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.745 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.4 m-85 -96.01 139.02 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 80' ' ' ILE . 15.0 p -128.4 176.07 8.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.5 mm -103.24 103.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.792 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -97.0 119.8 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.664 ' NE ' HD21 ' A' ' 81' ' ' LEU . 16.1 ptt180 -89.05 121.46 31.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.1 t -106.29 114.45 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.53 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.89 121.02 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.882 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.3 mm? -74.56 150.35 86.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.72 32.77 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.97 13.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.449 1.763 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -48.01 38.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.38 -51.64 68.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.804 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER 57.15 45.8 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 11.0 t-80 83.14 108.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -164.47 -65.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.0 m-20 159.23 94.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 76' ' ' ALA . 31.0 tt0 51.61 -91.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.8 OUTLIER 41.52 68.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ALA . . . 100.52 -30.71 9.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.882 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -39.89 134.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.72 138.57 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.655 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -107.48 159.41 16.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.52 104.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.792 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.9 mm -47.43 146.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.795 HD22 ' OE1' ' A' ' 85' ' ' GLU . 9.8 mt -107.89 167.2 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.09 20.35 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.82 23.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.795 ' OE1' HD22 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -84.47 160.14 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.408 ' O ' HD12 ' A' ' 90' ' ' ILE . 60.3 m -113.14 112.07 49.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.487 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -27.19 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 31' ' ' SER . 5.2 tp -76.86 -59.44 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -50.97 -42.74 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.693 HD11 ' OE2' ' A' ' 85' ' ' GLU . 45.7 mt -56.49 -57.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.27 -46.62 79.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -45.75 -43.88 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -108.51 49.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.5 t-105 -107.77 131.06 22.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.99 124.84 8.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.6 p -69.56 -29.08 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -26.86 67.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -68.3 -37.66 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.65 -170.37 24.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.533 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.3 mm -79.46 155.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.9 tp -122.18 140.54 52.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.646 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.5 t -146.54 138.98 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 12' ' ' LEU . 39.4 m-85 -115.68 102.6 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -96.96 150.67 20.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.518 HD11 HG13 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -113.48 117.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.91 155.44 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -45.0 145.44 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 128.57 92.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 18.4 Cg_endo -74.92 128.28 11.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.94 -33.19 4.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.99 66.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.97 161.01 8.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.59 36.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -111.18 136.83 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -78.19 145.85 35.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -134.65 138.18 44.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.91 161.39 40.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.16 64.07 4.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.45 139.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.779 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 m -68.5 -54.23 18.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.4 98.62 2.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.3 p -96.32 139.96 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.057 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.04 -95.43 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.37 -137.83 6.66 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.549 HG22 HD22 ' A' ' 29' ' ' LEU . 26.2 p -129.54 167.53 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.649 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -139.17 127.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -85.52 113.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.09 85.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' CE2' HG11 ' A' ' 102' ' ' VAL . 25.7 m-85 -49.92 -49.06 51.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.63 74.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.48 -56.01 8.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.65 68.56 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 57' ' ' TYR . 1.9 tp 177.87 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HE3' HD21 ' A' ' 49' ' ' LEU . 15.8 mmtt -140.79 86.04 12.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.62 -45.41 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.8 mt -71.71 139.87 83.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.96 -54.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 8.7 p90 -167.81 164.23 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 33.5 mmtt -138.71 146.24 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -124.82 113.9 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 30' ' ' LEU . 5.2 pt -108.63 157.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD22 HG22 ' A' ' 11' ' ' THR . 1.6 mm? -78.19 104.75 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.528 HD13 HD11 ' A' ' 28' ' ' ILE . 1.6 tp -109.05 162.54 14.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.763 ' C ' HD23 ' A' ' 88' ' ' LEU . 1.2 t -123.56 -176.06 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -101.79 2.22 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -113.76 -23.0 9.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.482 ' CG ' ' CD2' ' A' ' 38' ' ' PHE . 19.6 m-20 -62.35 177.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -130.9 169.14 16.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.19 -38.84 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.48 -52.64 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD2' ' CG ' ' A' ' 34' ' ' ASP . 85.4 t80 -58.75 -49.62 76.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 30' ' ' LEU . . . -56.77 -45.09 82.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' ALA . 9.2 t -51.41 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.53 -53.77 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.6 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -43.51 -58.17 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD21 ' CD2' ' A' ' 57' ' ' TYR . 38.3 mt -43.83 -68.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.5 mt-10 -49.71 -56.54 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 7.3 mmmt -45.58 -48.44 14.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 1.4 m-85 -68.89 -26.75 65.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.49 26.93 3.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.7 mm? -112.48 62.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.47 44.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -153.07 -46.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -47.96 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -101.53 116.63 63.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.06 -9.52 20.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -81.01 -11.28 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.46 -37.75 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.791 ' CD2' HD21 ' A' ' 44' ' ' LEU . 10.9 m-85 -91.27 145.16 24.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.623 ' SG ' HD12 ' A' ' 80' ' ' ILE . 13.9 p -132.57 171.95 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.364 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.7 mm -100.26 112.92 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.752 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -107.16 121.95 45.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.507 ' CD ' HD21 ' A' ' 81' ' ' LEU . 29.3 ptt180 -89.29 127.66 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.672 HG13 ' HB3' ' A' ' 78' ' ' GLU . 1.7 t -108.58 120.32 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.44 122.28 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.551 HD23 HG22 ' A' ' 100' ' ' ILE . 1.2 mm? -75.14 153.04 86.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.34 22.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.3 5.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.33 56.05 1.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.66 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 46.71 84.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 99.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' GLU . 70.7 m -165.56 143.16 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.52 76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' HA ' HD11 ' A' ' 64' ' ' LEU . 2.3 mm-40 43.34 68.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 89.97 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.6 47.99 81.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -84.76 135.69 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.18 138.13 50.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.672 ' HB3' HG13 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -118.83 155.41 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.5 mt -129.53 115.57 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.752 HD13 ' HB2' ' A' ' 60' ' ' ALA . 5.6 mm -51.59 148.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD21 ' CD ' ' A' ' 61' ' ' ARG . 21.6 mt -106.96 167.24 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -168.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.21 30.19 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.93 29.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.823 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -93.77 166.42 12.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.512 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.5 p -123.09 109.49 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.546 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -16.72 20.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.763 HD23 ' C ' ' A' ' 31' ' ' SER . 5.3 tp -83.46 -58.77 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.01 -41.53 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.823 HD11 ' OE1' ' A' ' 85' ' ' GLU . 42.8 mt -55.72 -47.99 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -67.03 -47.33 71.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -46.13 -34.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.49 54.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 64.0 t-105 -117.0 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.1 p -67.06 -39.47 86.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -34.32 62.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.5 mtpt -63.65 -27.07 68.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.68 174.18 13.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.551 HG22 HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -65.9 153.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.8 tp -122.0 141.67 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -147.39 157.24 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 12' ' ' LEU . 67.6 m-85 -131.49 107.59 8.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -97.24 145.91 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.12 130.38 55.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.24 173.51 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.34 146.82 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 116.69 30.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.14 9.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -40.95 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.6 74.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.49 -169.18 14.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.22 27.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -99.61 141.11 32.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.31 -58.53 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.76 -58.45 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -55.04 145.63 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.02 111.31 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.07 -60.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -173.74 135.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.039 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.55 -164.02 10.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.17 96.45 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.52 -156.09 11.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.74 -135.79 1.9 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.529 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -143.79 121.38 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' HG22 ' A' ' 27' ' ' THR . 5.4 mtt-85 -84.09 115.08 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 13' ' ' ARG . 4.0 mm -110.54 82.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 91.6 m-85 -53.82 -48.96 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.35 53.99 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.04 74.6 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -177.04 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.85 -37.71 77.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -129.38 86.12 57.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 49.02 2.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.66 -51.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.569 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.1 mp -80.98 140.76 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -167.96 158.13 10.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -141.16 145.68 36.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.435 HG22 ' CG ' ' A' ' 13' ' ' ARG . 58.5 p -126.61 137.51 53.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.792 HG22 ' HE2' ' A' ' 46' ' ' LYS . 3.6 pt -129.12 156.68 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.45 107.08 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -113.84 158.61 20.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.591 ' C ' HD23 ' A' ' 88' ' ' LEU . 54.8 p -124.17 -178.32 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -93.11 18.63 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.9 OUTLIER -128.19 -43.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' THR . 29.8 m-20 -45.2 168.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -118.93 -177.48 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -73.82 -37.82 64.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.36 -48.61 76.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.82 -51.27 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.62 -50.73 72.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 59' ' ' ILE . 2.7 t -40.28 -60.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.33 -59.07 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.49 -61.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.451 ' OG ' HD22 ' A' ' 105' ' ' LEU . 30.5 t -45.08 -49.26 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 HD11 ' HD2' ' A' ' 57' ' ' TYR . 41.0 mt -52.99 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -44.35 -50.25 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.792 ' HE2' HG22 ' A' ' 28' ' ' ILE . 8.8 mmmt -44.0 -66.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.2 m-85 -54.24 -25.11 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.36 28.39 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.557 HD12 ' HG3' ' A' ' 52' ' ' GLU . 2.1 mm? -104.93 56.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.78 47.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -155.92 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.5 mm-40 -47.74 170.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.49 116.23 66.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -28.07 9.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -22.48 66.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.51 -41.99 30.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.463 ' HD2' HD11 ' A' ' 44' ' ' LEU . 5.6 m-85 -89.75 151.75 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 178.59 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.55 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 33.2 mm -99.69 106.34 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.719 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.26 120.73 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.461 ' CD ' HD21 ' A' ' 81' ' ' LEU . 16.9 ptt180 -90.14 131.17 36.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.771 HG22 ' HB3' ' A' ' 78' ' ' GLU . 16.6 t -103.83 118.24 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.6 mtm -112.85 127.05 56.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' A' ' 73' ' ' GLU . 1.8 mm? -72.28 148.43 91.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.4 18.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.52 4.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -109.62 71.2 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.66 -61.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 72.85 167.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m170 66.06 -172.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.0 86.7 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -176.22 37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.768 ' HA ' HD11 ' A' ' 64' ' ' LEU . 35.5 mt-10 45.82 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 111.35 23.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.7 57.55 2.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -85.23 149.31 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.1 ttpt -123.39 138.52 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.771 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -114.46 156.95 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mt -135.11 123.2 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.719 HD13 ' HB2' ' A' ' 60' ' ' ALA . 8.4 mm -56.24 153.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 59' ' ' ILE . 6.5 mt -102.17 161.48 13.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -48.9 -72.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER 159.86 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.46 23.5 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -85.91 176.64 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.555 ' O ' HD12 ' A' ' 90' ' ' ILE . 63.7 m -125.34 118.71 24.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -30.08 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.591 HD23 ' C ' ' A' ' 31' ' ' SER . 19.3 tp -70.43 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.96 -43.27 60.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 86' ' ' CYS . 50.3 mt -58.38 -42.45 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -70.01 -40.79 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.89 -43.08 76.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.5 53.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.3 t-105 -114.33 131.58 23.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.03 126.28 9.85 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -66.22 -40.92 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -38.15 57.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 4.4 mtpt -58.95 -35.17 72.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.9 173.87 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.523 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -64.18 152.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 5.5 tp -122.24 136.48 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.609 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.1 t -147.62 142.6 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CD2' HD11 ' A' ' 12' ' ' LEU . 68.5 m-85 -113.97 110.39 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -97.56 165.28 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.451 HD22 ' OG ' ' A' ' 43' ' ' SER . 15.4 tp -113.41 104.19 12.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.62 169.54 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 170.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 77.3 30.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.9 6.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m 65.02 85.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 157.98 87.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.14 40.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 t -131.77 -57.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 94.9 p -92.54 130.01 38.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.91 144.19 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -130.48 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.53 -143.35 1.45 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.81 154.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.49 100.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.32 -119.08 0.91 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.25 140.28 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.6 -92.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.35 170.13 28.87 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 143.16 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.771 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -120.06 128.87 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.57 104.27 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.9 mm -95.88 80.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.671 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 83.8 m-85 -52.72 -49.43 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.669 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . . . 52.42 100.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.3 -48.51 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -85.6 53.71 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 106' ' ' LYS . 2.1 tp -174.2 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.862 ' HD2' HD13 ' A' ' 23' ' ' ILE . 26.4 mmtt -129.59 87.87 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -55.27 -69.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.862 HD13 ' HD2' ' A' ' 20' ' ' LYS . 4.6 mp -58.13 140.97 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -62.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -156.03 162.5 40.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD3' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -127.35 147.62 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 p -127.53 116.19 19.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.745 HG22 ' HG2' ' A' ' 46' ' ' LYS . 6.7 pt -118.37 156.78 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -79.24 112.35 16.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -115.78 159.75 21.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.899 ' C ' HD23 ' A' ' 88' ' ' LEU . 15.5 p -124.02 178.41 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -91.45 29.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.22 -45.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -42.41 163.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.7 179.12 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.56 98.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.97 -48.54 67.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.43 -51.07 71.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.24 -50.87 72.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' ' 54' ' ' PRO . 24.2 t -47.23 -58.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.09 -54.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -43.02 -57.57 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CA ' ' HB2' ' A' ' 49' ' ' LEU . 18.4 mt -40.11 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 mt-10 -43.53 -56.67 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.745 ' HG2' HG22 ' A' ' 28' ' ' ILE . 9.9 mptt -42.89 -67.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.669 ' OH ' ' HB3' ' A' ' 16' ' ' ALA . 6.2 m-85 -51.47 -22.92 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 110.94 19.29 7.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD21 ' HE3' ' A' ' 20' ' ' LYS . 1.9 mm? -93.97 56.14 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.46 45.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.64 -46.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.54 170.74 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 9.4 t30 -102.77 136.02 19.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HB3' HG12 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 -0.57 10.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -10.25 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -9.11 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 8.2 m-85 -128.51 156.63 42.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -139.54 173.74 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' HD12 ' A' ' 81' ' ' LEU . 13.5 mm -102.45 111.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -100.16 119.43 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.668 ' HD3' HD21 ' A' ' 81' ' ' LEU . 21.8 ptt180 -89.12 132.81 34.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.833 HG22 ' HB3' ' A' ' 78' ' ' GLU . 13.7 t -107.35 115.08 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.7 mtm -109.28 138.61 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.01 153.11 92.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.52 33.2 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 74.05 4.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.6 50.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.36 -52.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 58.62 172.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -63.54 116.33 5.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.6 -58.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.04 106.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -92.15 97.14 10.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 44.01 53.81 6.33 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.76 172.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -132.43 118.12 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.833 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.4 pt-20 -105.25 150.04 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 mt -133.03 118.85 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.662 HD13 ' HB2' ' A' ' 60' ' ' ALA . 7.0 mm -52.24 152.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.668 HD21 ' HD3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -99.48 161.59 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.1 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.99 27.53 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.532 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -84.08 175.33 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 88.1 m -125.6 109.5 25.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.497 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -21.5 15.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.899 HD23 ' C ' ' A' ' 31' ' ' SER . 28.3 tp -84.6 -51.29 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.86 -40.64 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.532 HD11 ' OE1' ' A' ' 85' ' ' GLU . 52.0 mt -61.08 -47.56 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.41 ' HA ' HD22 ' A' ' 101' ' ' LEU . 29.6 t80 -52.4 -49.84 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.79 92.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.89 42.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -112.91 131.61 22.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.042 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 -36.73 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.02 -38.05 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 5.4 mtpt -60.22 -35.06 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.14 175.18 13.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.7 OUTLIER -64.8 154.51 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.4 tp -122.04 136.65 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.74 141.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.771 ' CD2' HD11 ' A' ' 12' ' ' LEU . 77.2 m-85 -113.4 118.42 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.03 132.6 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.2 ptmt -138.13 171.63 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 161.89 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.56 115.3 58.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.54 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 138.64 23.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 m -100.94 89.86 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.98 -151.11 5.6 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 60.48 5.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 115' ' ' SER . 8.1 m 49.37 82.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER 79.84 112.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -134.09 91.5 2.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -111.05 115.22 29.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.48 -176.91 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -120.56 125.72 48.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -92.28 165.49 13.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.23 -159.78 25.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.22 -59.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.82 -171.84 40.66 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.02 -134.21 1.61 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -129.37 167.51 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -144.26 124.7 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.89 112.81 18.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.27 88.59 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.695 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 87.9 m-85 -66.38 -46.8 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 44.14 59.14 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.2 t70 -82.03 82.12 7.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER 167.04 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.34 -18.23 65.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HE3' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -162.02 91.92 1.37 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.23 5.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -52.48 -46.43 66.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -86.26 140.78 34.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 -73.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -141.72 156.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 19.8 mmtt -128.0 143.07 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.7 p -129.62 111.35 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.559 HG21 ' HG3' ' A' ' 46' ' ' LYS . 12.8 pt -112.11 160.65 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.66 115.67 21.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.74 159.09 20.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -124.15 153.39 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.435 HG21 ' NH2' ' A' ' 92' ' ' ARG . 4.3 p -75.16 56.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.63 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -54.94 155.66 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.7 p -107.57 -178.91 3.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.52 -48.13 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' ALA . 54.3 t0 -40.13 -52.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -59.79 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.59 56.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 36' ' ' ALA . 52.3 t -50.32 -69.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.11 -48.73 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.3 mm-40 -54.4 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.2 p -37.84 -59.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.616 HD22 ' HG2' ' A' ' 52' ' ' GLU . 17.7 mt -40.43 -68.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.8 mt-10 -52.69 -54.18 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HG3' HG21 ' A' ' 28' ' ' ILE . 32.1 mmtt -46.17 -42.39 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 3.8 m-85 -77.14 -25.2 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.51 22.6 5.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.54 HD21 ' HE3' ' A' ' 20' ' ' LYS . 3.1 mm? -103.16 67.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -99.49 56.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -157.62 -51.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.616 ' HG2' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -55.35 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.89 127.35 27.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -20.16 17.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -4.31 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -95.11 -34.47 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 t -138.32 160.71 38.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.8 mm -94.56 110.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.692 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -102.49 119.85 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 39.6 ptt180 -89.24 135.94 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.803 HG22 ' HB3' ' A' ' 78' ' ' GLU . 8.6 t -107.89 120.29 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 mtm -110.07 129.04 55.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -71.19 153.43 94.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.82 17.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.32 -50.26 17.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.02 179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.18 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.6 -64.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m -75.77 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 60.02 112.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' HA ' HD11 ' A' ' 64' ' ' LEU . 2.4 mp0 -72.35 88.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -97.44 101.52 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.53 95.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.24 140.31 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 2.7 tttt -122.13 140.72 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.803 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.2 pt-20 -120.68 149.24 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.8 mt -131.3 125.65 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -54.63 159.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 179.45 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -76.76 -11.14 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.8 t70 80.22 -1.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -125.14 8.24 7.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.51 -177.55 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 p -119.37 110.17 37.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.04 -11.15 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tp -94.59 -50.26 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -40.95 98.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.52 -50.36 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -46.75 -63.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.435 ' NH2' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -48.57 -36.76 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.22 48.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.7 t-105 -119.06 129.74 25.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.97 100.8 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.558 1.82 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -45.2 -26.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -45.13 94.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 17.3 mtpt -58.11 -20.13 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.9 -170.62 14.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.452 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.4 mm -77.19 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.5 tp -121.42 140.13 52.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.695 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 147.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 12' ' ' LEU . 63.0 m-85 -121.17 117.52 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -107.05 168.12 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.56 132.25 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -176.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 165.34 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -130.56 154.42 81.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.78 6.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.4 p 179.86 89.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.64 100.48 1.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.14 36.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.33 136.83 45.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.76 128.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -171.74 153.57 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.47 161.27 30.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.0 150.08 5.99 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -151.91 -58.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.055 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -146.84 116.54 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.062 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 142.68 46.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 t -131.63 -55.6 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 0.752 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.01 -92.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.77 -134.75 3.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -129.62 167.36 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -141.76 125.59 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.559 HH11 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -79.15 114.2 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.453 ' C ' ' NH2' ' A' ' 13' ' ' ARG . 9.1 mm -115.47 91.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 92.6 m-85 -70.3 -46.68 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' TYR . . . 39.14 44.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.76 77.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -179.48 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 tp -87.78 -34.76 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.754 ' HE3' HD21 ' A' ' 49' ' ' LEU . 5.2 mmtp -139.47 88.75 12.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -41.06 -64.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.611 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -68.51 141.13 92.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.99 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.3 p90 -150.85 153.83 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' NZ ' HG21 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -146.78 135.96 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.559 HG22 HH11 ' A' ' 13' ' ' ARG . 39.6 p -101.52 125.09 48.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.534 ' CD1' HD13 ' A' ' 30' ' ' LEU . 4.8 pt -106.09 154.53 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.54 107.03 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.4 tp -111.11 161.37 15.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.643 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -123.88 170.87 10.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -91.18 32.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.76 -45.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' CE2' ' A' ' 38' ' ' PHE . 14.2 m-20 -48.3 172.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.4 p -129.24 -170.27 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -67.71 -47.02 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -28.71 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE2' ' OD2' ' A' ' 34' ' ' ASP . 65.7 t80 -84.46 -56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -33.42 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.2 t -58.33 -60.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.64 -56.58 17.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 mm-40 -42.01 -70.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 45.7 t -38.3 -60.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.536 HD11 ' HD2' ' A' ' 57' ' ' TYR . 39.3 mt -42.0 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.13 -52.08 38.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' HG21 ' A' ' 28' ' ' ILE . 5.7 mmtt -48.05 -53.47 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.03 -25.81 68.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 20.79 5.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.1 mm? -104.29 66.73 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.66 46.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.99 -46.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -47.31 171.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.92 115.71 65.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.07 -24.11 13.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -12.35 60.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -91.07 -39.28 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HD2' HD11 ' A' ' 44' ' ' LEU . 4.4 m-85 -90.16 152.35 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 -176.45 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.8 mm -115.77 106.6 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.704 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.08 123.4 42.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' HE2' ' A' ' 63' ' ' MET . 10.3 ptt180 -89.29 129.87 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.749 HG22 ' HB3' ' A' ' 78' ' ' GLU . 10.6 t -104.49 120.23 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.431 ' HE2' ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -107.9 126.12 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 156.18 86.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.34 35.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -15.96 20.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.64 60.17 0.33 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.75 166.66 32.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.54 133.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 77.06 -179.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m 58.22 164.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.065 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.24 -175.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 6.0 mp0 -95.11 107.72 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -123.17 -42.39 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.15 60.89 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -128.05 152.82 47.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.02 127.71 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.749 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -108.36 153.11 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 mt -131.97 122.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.704 HD13 ' HB2' ' A' ' 60' ' ' ALA . 7.6 mm -52.42 152.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 59' ' ' ILE . 10.7 mt -99.25 159.1 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.36 -44.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.83 27.19 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.669 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -84.09 167.13 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.479 ' O ' HD12 ' A' ' 90' ' ' ILE . 84.7 m -114.36 113.97 45.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.495 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.643 HD23 ' C ' ' A' ' 31' ' ' SER . 15.3 tp -85.63 -62.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.34 -41.96 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.669 HD11 ' CD ' ' A' ' 85' ' ' GLU . 37.9 mt -55.03 -55.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.9 -48.16 83.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -43.56 -45.51 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.56 42.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.567 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.1 t-105 -102.86 131.01 22.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.567 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 117.95 5.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.426 1.751 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -61.92 -26.62 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 6.6 mtpt -64.2 -30.43 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . 124.62 147.74 7.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 100' ' ' ILE . 0.4 OUTLIER -39.68 154.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 5.7 tp -121.98 144.01 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 143.26 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 12' ' ' LEU . 57.5 m-85 -119.13 113.68 21.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -101.74 166.75 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.23 123.41 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.35 5.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 154.43 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.5 158.63 44.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.53 7.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 t -167.38 80.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.29 -148.57 22.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.58 21.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.1 p -134.53 -62.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.71 125.77 10.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 p -135.94 -57.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -129.56 157.8 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.9 -175.8 38.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -171.91 122.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -109.95 163.28 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.55 152.74 19.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t 58.1 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.37 -99.44 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.21 153.56 9.05 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -110.69 136.24 50.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -117.03 126.24 52.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.09 118.31 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mm -114.23 95.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.738 ' CE2' HG13 ' A' ' 102' ' ' VAL . 89.0 m-85 -76.59 -44.14 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.98 62.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.2 m-20 -79.59 88.68 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 164.65 -52.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 19' ' ' LEU . 8.3 tp -71.67 -22.89 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' CD ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -148.84 89.74 4.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.2 7.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.554 1.818 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -58.62 -59.68 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.68 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.4 mp -74.23 142.39 78.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -79.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -136.31 162.04 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -135.33 142.63 45.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -125.37 110.94 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.483 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.3 pt -107.86 151.25 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.34 118.44 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -120.44 158.82 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.539 ' C ' HD23 ' A' ' 88' ' ' LEU . 25.0 m -124.29 158.87 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.429 ' N ' HD23 ' A' ' 88' ' ' LEU . 68.8 p -76.33 67.31 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.07 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.365 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -47.91 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -128.64 -179.17 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -71.6 -39.88 70.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.99 -49.24 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.72 -52.1 54.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.99 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' ALA . 8.4 t -47.93 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.84 -58.88 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -45.59 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -54.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 57' ' ' TYR . 40.1 mt -49.59 -67.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.56 -50.37 42.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 11.5 mmtt -53.57 -42.8 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 1.3 m-85 -72.66 -35.71 67.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' HD13 ' A' ' 49' ' ' LEU . . . 120.73 38.29 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD21 ' CD ' ' A' ' 20' ' ' LYS . 2.3 mm? -122.61 60.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.19 45.02 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -154.3 -46.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.45 173.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.22 117.65 61.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -15.23 57.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -86.45 -38.99 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CD2' HD21 ' A' ' 44' ' ' LEU . 5.9 m-85 -90.94 146.48 23.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.793 ' SG ' HD12 ' A' ' 80' ' ' ILE . 13.8 p -127.85 -179.1 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.4 mm -111.4 99.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.925 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -93.63 120.74 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CD ' HD21 ' A' ' 81' ' ' LEU . 12.6 ptt180 -89.6 130.83 35.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.773 HG22 ' HB3' ' A' ' 78' ' ' GLU . 12.8 t -108.24 122.08 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.52 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -109.65 119.19 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.4 mm? -74.73 154.59 87.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.651 ' HG2' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.05 168.83 23.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.811 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 62.58 5.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.62 -82.07 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.429 1.081 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.651 ' HB3' ' HG2' ' A' ' 65' ' ' PRO . . . -41.94 125.74 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' SER . 1.1 mt-30 176.44 148.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.34 -65.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -45.57 -55.06 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 174.19 160.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.583 ' HG3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -93.64 102.75 14.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -137.16 75.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.6 -16.17 2.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.852 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -63.46 131.49 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -124.07 137.64 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.773 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -104.57 157.91 16.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mt -134.96 113.8 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.925 HD13 ' HB2' ' A' ' 60' ' ' ALA . 25.4 mm -49.61 144.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 59' ' ' ILE . 11.3 mt -92.79 152.39 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.74 -40.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -106.14 34.13 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.527 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -87.07 169.14 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.549 ' O ' HD12 ' A' ' 90' ' ' ILE . 7.3 m -111.07 111.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -16.85 19.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 31' ' ' SER . 13.3 tp -85.72 -66.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -50.0 -41.09 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 86' ' ' CYS . 38.0 mt -54.62 -56.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.89 -46.26 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -43.86 -51.49 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -101.96 47.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.59 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.9 t-105 -100.23 131.53 23.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.59 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.02 123.0 7.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.2 p -62.76 -41.72 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.56 -42.03 67.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -54.07 -33.67 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.94 -172.69 19.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.515 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.0 OUTLIER -76.53 154.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.01 139.95 53.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.738 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.0 t -147.62 140.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 12' ' ' LEU . 47.9 m-85 -115.21 102.7 10.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -95.2 144.88 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -102.88 119.77 39.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -159.35 -175.45 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.494 ' O ' ' CE ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.62 154.25 47.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 116.9 4.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.6 29.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -63.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.63 -158.03 33.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t 66.96 100.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 139.54 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.8 135.53 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -169.55 170.86 7.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.84 135.02 3.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.09 122.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 110.029 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -165.8 157.56 14.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.44 110.02 0.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 -56.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.74 -67.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.22 165.82 11.73 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -123.39 155.22 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.353 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.603 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.92 125.15 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.362 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.68 102.03 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.66 94.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.763 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.8 m-85 -68.72 -44.91 72.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 42.94 44.64 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.11 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' ALA . 23.0 t -172.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.39 -33.01 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -139.29 93.07 10.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -42.87 -61.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.563 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.2 mp -73.01 140.66 80.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 -55.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -159.78 166.67 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.3 mptt -134.69 146.04 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.3 p -126.13 110.85 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 46' ' ' LYS . 5.9 pt -112.32 155.39 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.79 111.31 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 30' ' ' LEU . 1.3 tp -114.84 160.48 19.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.849 ' C ' HD23 ' A' ' 88' ' ' LEU . 3.3 m -123.42 143.91 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.7 ' N ' HD23 ' A' ' 88' ' ' LEU . 76.1 p -38.35 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.9 m -91.71 -96.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' OD1' ' CD2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER 45.9 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -145.1 149.48 35.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.12 -39.23 78.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -39.12 90.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 37.3 t80 -71.13 -51.53 24.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.43 76.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 36' ' ' ALA . 2.9 t -51.84 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -42.81 -56.98 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.7 mm-40 -42.81 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.486 ' OG ' HD22 ' A' ' 105' ' ' LEU . 11.9 t -39.13 -57.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' HD2' ' A' ' 57' ' ' TYR . 23.9 mt -44.65 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -52.5 -52.03 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -50.17 -40.1 45.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.0 m-85 -77.54 -31.67 53.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.3 -3.93 7.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.5 mm? -82.33 58.87 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.58 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -155.05 -45.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.46 172.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.33 115.75 65.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -26.73 10.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -64.65 -12.43 45.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -91.71 -33.39 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HD2' HD11 ' A' ' 44' ' ' LEU . 8.5 m-85 -95.3 139.68 31.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 80' ' ' ILE . 23.8 p -127.12 172.52 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.83 112.43 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 1.009 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -108.13 120.96 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HG3' ' CE ' ' A' ' 63' ' ' MET . 13.0 ptt180 -89.17 133.22 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 78' ' ' GLU . 31.4 t -107.2 113.53 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.558 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 1.2 mtm -109.67 127.36 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.658 HD11 ' HA ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -72.31 154.07 92.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.07 25.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.14 4.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.85 48.72 3.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 71' ' ' SER . . . -146.89 -53.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 53.88 83.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 45.11 52.38 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.58 ' HB2' ' HB1' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -91.19 -61.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 p30 179.62 128.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.658 ' HA ' HD11 ' A' ' 64' ' ' LEU . 3.0 mp0 -44.56 -30.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -50.14 120.0 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.59 13.8 62.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' GLU . . . -81.24 170.31 16.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.23 120.51 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.726 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -103.8 152.04 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.3 mt -130.35 120.85 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.009 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.5 mm -60.29 160.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.515 HD11 ' HE1' ' A' ' 103' ' ' PHE . 3.3 mt -120.46 158.61 26.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -171.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -102.95 33.28 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -169.86 35.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.804 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.5 OUTLIER -90.33 179.98 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.596 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.9 p -127.46 101.99 23.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.52 21.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.849 HD23 ' C ' ' A' ' 31' ' ' SER . 11.2 tp -85.79 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.13 -47.37 81.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.804 HD11 ' OE1' ' A' ' 85' ' ' GLU . 27.3 mt -46.85 -49.79 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.71 -43.3 84.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -54.41 -30.37 52.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -109.2 34.34 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.602 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -91.48 135.63 27.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.01 -13.53 21.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER 69.43 -61.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -41.66 -47.85 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 22.0 mttt -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' SER . . . 144.31 151.56 5.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.488 HG22 HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -41.27 149.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.4 133.54 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.763 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.4 t -147.95 144.02 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.603 ' CD2' HD11 ' A' ' 12' ' ' LEU . 59.3 m-85 -116.17 108.41 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.3 150.28 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.486 HD22 ' OG ' ' A' ' 43' ' ' SER . 1.1 tp -109.13 117.1 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -167.52 157.43 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -43.43 160.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -80.78 123.37 82.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 18.5 Cg_endo -74.99 129.43 12.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -74.98 -50.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.11 -48.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.9 69.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -62.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.13 92.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.53 151.64 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -172.25 102.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.34 143.22 28.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.84 -149.91 21.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -150.65 165.25 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.42 -53.19 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.45 -74.96 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -70.53 155.9 40.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 -155.56 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.56 -135.04 3.56 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -127.83 167.44 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -137.79 125.6 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HA ' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -85.08 105.98 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -103.86 83.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.746 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.6 m-85 -60.41 -47.84 84.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.52 58.37 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.1 65.36 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -165.53 -66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.01 -40.15 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.29 92.08 21.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.23 9.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -51.61 -59.21 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.582 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.7 mp -76.08 140.64 70.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.582 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -46.06 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -166.97 160.22 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -140.1 146.71 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 13' ' ' ARG . 76.8 p -128.6 113.75 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 46' ' ' LYS . 9.2 pt -106.13 159.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.08 107.0 9.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD23 ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -117.32 160.15 21.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 m -124.02 179.4 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -93.79 22.59 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -128.02 -43.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 p -117.37 176.7 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.78 -54.25 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.12 -44.12 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -65.04 -54.41 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.77 55.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 54' ' ' PRO . 43.0 t -45.81 -70.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.29 -53.77 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.74 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -39.4 -50.22 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 57' ' ' TYR . 36.2 mt -52.92 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 25.8 mt-10 -52.55 -52.76 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 28' ' ' ILE . 17.4 mmtt -46.77 -48.9 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.2 -25.0 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 121.93 -7.9 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD12 ' HG2' ' A' ' 52' ' ' GLU . 2.7 mm? -77.27 65.21 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -91.67 41.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -152.31 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG2' HD12 ' A' ' 49' ' ' LEU . 15.8 mm-40 -45.83 169.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.51 121.17 54.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.93 -14.42 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -13.25 59.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 18.3 m-20 -90.13 -14.52 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.623 ' HD2' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -123.0 168.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 80' ' ' ILE . 19.9 p -150.61 -171.45 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.9 mm -112.41 99.78 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.921 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -95.29 119.29 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' CG ' HD21 ' A' ' 81' ' ' LEU . 28.0 ptt180 -88.89 134.3 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 78' ' ' GLU . 17.4 t -110.15 121.03 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 mtm -108.07 120.99 43.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.09 152.88 94.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.89 17.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.807 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.78 4.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.91 66.81 1.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.87 179.49 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.99 -53.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.61 -168.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m 61.99 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.88 86.91 4.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.03 46.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -76.54 112.05 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.24 -29.73 5.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.74 128.3 10.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -130.06 138.53 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.805 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.53 155.02 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.23 114.77 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.921 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.3 mm -51.77 149.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 59' ' ' ILE . 4.7 mt -96.26 161.45 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.84 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 165.35 -35.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.38 24.8 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -81.98 177.57 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.47 118.24 21.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.474 ' HG2' HD23 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.93 -37.76 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.39 -55.63 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.01 80.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.442 HD11 ' CD ' ' A' ' 85' ' ' GLU . 48.8 mt -59.57 -49.36 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.46 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 50.7 t80 -52.68 -53.79 42.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -47.96 74.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.9 51.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 73.7 t-105 -121.45 130.98 24.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.0 99.26 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -46.0 -25.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -42.14 96.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.463 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.4 mtpp -55.91 -24.77 39.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.43 -179.61 16.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.506 ' HA ' HD13 ' A' ' 100' ' ' ILE . 1.1 mm -68.47 154.25 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 12.2 tp -121.84 137.76 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.746 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.1 t -146.55 141.04 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' HD2' HD11 ' A' ' 12' ' ' LEU . 42.5 m-85 -114.47 104.92 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -99.63 150.16 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.07 120.76 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.88 173.97 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -52.87 154.82 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -93.56 125.47 53.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.87 2.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 t -174.59 87.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.32 171.74 12.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.44 38.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 141.8 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 64.2 p -137.16 127.0 25.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -74.9 150.89 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -108.75 97.68 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.6 173.41 39.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -98.16 -58.06 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.989 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 58.12 160.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.47 63.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p -69.44 122.8 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 -167.75 33.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.16 -137.41 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 p -129.61 167.53 17.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -144.31 122.94 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' CG ' HG22 ' A' ' 27' ' ' THR . 4.1 mtm180 -84.76 109.52 18.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mm -103.86 83.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.616 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 82.9 m-85 -53.99 -48.77 70.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.33 73.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -93.45 44.67 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 48.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.21 -41.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG3' ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.48 86.43 58.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -75.03 168.17 25.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 2.3 m120 81.75 -56.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.735 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.8 mp -62.34 142.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.0 -80.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -144.33 152.48 40.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.85 145.96 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.408 HG22 ' CG ' ' A' ' 13' ' ' ARG . 10.7 p -131.3 111.45 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.8 pt -107.6 154.12 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.32 118.03 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.2 tp -120.94 158.93 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.0 m -124.05 171.07 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -85.21 6.82 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.5 p -118.58 -35.89 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -48.96 176.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -127.07 -175.4 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.5 -53.0 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.06 -45.5 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.78 -57.97 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -53.0 -46.07 68.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' CD1' ' A' ' 105' ' ' LEU . 2.6 t -50.24 -69.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -41.97 -48.59 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -57.16 -56.71 18.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 t -48.24 -52.17 22.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 54' ' ' PRO . 29.4 mt -47.6 -68.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' GLY . 20.9 mt-10 -49.42 -59.68 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 3.9 mmtt -40.26 -50.39 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' HG3' ' A' ' 20' ' ' LYS . 2.3 m-85 -68.43 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 123.49 39.02 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.2 mm? -124.29 59.9 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.45 -46.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.39 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 8.2 t30 -114.08 122.44 34.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.03 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -11.98 47.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -89.52 -33.71 16.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 27.2 m-85 -101.62 134.62 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 178.94 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.618 HG12 HG23 ' A' ' 40' ' ' VAL . 29.9 mm -101.95 105.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.11 119.32 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HD3' HD21 ' A' ' 81' ' ' LEU . 15.0 ptt-85 -89.33 130.22 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 78' ' ' GLU . 6.1 t -107.67 120.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.406 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -107.96 125.74 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -80.42 143.31 55.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.97 165.14 31.96 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.12 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.17 87.53 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -147.28 176.68 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -72.86 174.3 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -104.11 -70.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.97 -60.67 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.65 156.08 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.97 65.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -82.96 112.11 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.84 -36.76 4.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -46.58 124.92 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 124.02 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.774 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.1 pt-20 -95.34 156.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.4 114.19 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.6 mm -50.2 155.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD21 ' HD3' ' A' ' 61' ' ' ARG . 18.3 mt -106.59 152.99 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.81 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.99 -45.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -92.95 23.12 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.72 179.43 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -132.82 112.24 13.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.598 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -12.02 21.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 tp -91.89 -56.3 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -35.04 73.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 62.4 mt -64.12 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -54.26 -59.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -30.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.61 42.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.1 t-105 -115.61 130.85 24.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.568 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.04 112.68 3.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.0 p -58.11 -20.67 41.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -46.29 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.7 mtpt -50.56 -36.01 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.55 -166.93 25.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -78.47 154.79 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 15.7 tp -122.07 138.39 54.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.616 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.72 142.87 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 70.6 m-85 -119.76 107.94 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -98.76 168.32 10.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.662 ' CD1' HG22 ' A' ' 40' ' ' VAL . 9.3 tp -117.33 101.13 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -130.26 172.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.35 120.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -57.98 160.52 8.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 120.42 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 p -168.82 95.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.02 154.68 8.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -53.69 -67.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.33 105.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.23 159.71 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -57.6 164.3 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.19 137.04 4.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.65 115.73 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.61 24.28 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.96 -80.69 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 m -125.76 -79.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 -93.61 0.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.57 168.8 33.66 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -158.52 133.26 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.01 106.08 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.95 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.732 ' CE2' HG13 ' A' ' 102' ' ' VAL . 98.1 m-85 -57.05 -48.66 77.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.23 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.51 53.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.5 t -178.53 48.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD11 ' CE1' ' A' ' 57' ' ' TYR . 5.9 tp -170.66 -41.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -136.96 92.88 13.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -42.18 -59.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -79.94 140.27 54.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -129.64 157.1 43.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.1 tptt -132.43 142.37 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.7 p -124.57 111.03 15.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 46' ' ' LYS . 5.4 pt -109.84 155.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.91 108.14 12.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' CD1' HD11 ' A' ' 28' ' ' ILE . 1.1 tp -104.17 159.04 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.621 ' C ' HD23 ' A' ' 88' ' ' LEU . 5.3 m -123.97 143.12 50.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.648 ' N ' HD23 ' A' ' 88' ' ' LEU . 13.6 p -53.96 -22.42 10.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -86.56 -39.72 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -53.61 163.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 61.0 p -126.86 -169.08 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -72.81 -46.65 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.42 -44.61 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -71.88 -53.66 12.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.4 -44.33 65.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.4 t -48.99 -68.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.2 -54.63 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.1 mm-40 -48.69 -68.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' GLU . 32.7 t -38.77 -53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.603 HD11 ' HD2' ' A' ' 57' ' ' TYR . 44.2 mt -48.99 -66.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.61 -53.61 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 28' ' ' ILE . 22.8 mmtt -46.2 -53.01 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 2.3 m-85 -64.64 -26.38 68.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.87 32.21 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.5 65.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -94.94 44.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.02 -46.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -49.68 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.17 122.54 41.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 -25.78 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 4.8 mtmt -66.18 -11.31 48.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.19 -32.34 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.603 ' HD2' HD11 ' A' ' 44' ' ' LEU . 13.1 m-85 -103.22 142.71 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.25 174.69 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.612 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 10.7 mm -102.46 110.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.807 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -103.36 121.85 43.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HD3' HD21 ' A' ' 81' ' ' LEU . 16.5 ptt180 -89.48 127.43 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.4 t -100.05 115.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -111.51 126.93 55.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -75.92 114.08 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 164.37 33.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -29.88 7.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.12 55.53 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -138.6 -56.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -151.34 147.31 26.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -53.12 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.56 62.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.13 174.53 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.96 118.94 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -134.59 -58.76 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.67 33.43 6.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 65' ' ' PRO . . . -56.92 170.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -132.08 138.73 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.814 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -112.63 160.69 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.3 120.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.807 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.2 mm -54.44 153.84 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' HD3' ' A' ' 61' ' ' ARG . 11.2 mt -102.67 167.31 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.96 -42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -97.28 24.33 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' THR . 0.6 OUTLIER -79.11 -174.29 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.552 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.6 p -134.42 108.52 11.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -28.73 8.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 32' ' ' THR . 16.5 tp -77.53 -60.92 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -51.53 -42.89 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 86' ' ' CYS . 47.9 mt -58.21 -48.55 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -63.27 -43.51 97.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.53 -40.24 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.97 55.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.0 t-105 -116.16 131.46 23.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 119.09 5.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.7 p -60.86 -34.78 75.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -41.87 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 0.8 OUTLIER -54.59 -31.64 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.58 167.35 11.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -61.67 152.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.0 tp -122.28 135.88 54.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.732 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.4 t -145.82 139.33 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.587 ' HD2' HD11 ' A' ' 12' ' ' LEU . 52.2 m-85 -114.75 111.72 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -100.08 165.44 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -129.73 119.38 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 175.62 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -52.65 119.73 16.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 57.05 4.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.5 p -177.3 164.53 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.29 -81.55 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.95 8.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.557 1.819 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.4 p -137.21 151.49 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.39 131.43 8.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -156.61 97.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p -143.72 111.17 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 121.84 0.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.96 112.16 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -83.38 120.87 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.05 154.26 8.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -78.72 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.15 -113.16 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.01 174.09 46.21 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' HD22 ' A' ' 12' ' ' LEU . 8.9 p -124.21 166.99 14.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -146.79 126.51 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 94.98 9.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.0 86.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.667 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 85.3 m-85 -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.651 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . . . 39.47 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.42 67.74 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -171.06 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 19' ' ' LEU . 9.4 tp -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -136.4 92.25 15.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -143.47 -56.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.713 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.6 mp -71.55 142.46 86.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -57.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -161.3 160.62 29.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CD ' HG21 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -131.68 145.48 51.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -126.59 111.3 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.484 HG21 ' HG3' ' A' ' 46' ' ' LYS . 4.7 pt -108.92 153.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 110.38 9.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.48 160.66 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.541 ' C ' HD23 ' A' ' 88' ' ' LEU . 4.9 p -123.83 141.29 52.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.705 ' N ' HD23 ' A' ' 88' ' ' LEU . 11.0 p -45.26 -27.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 33' ' ' THR . 15.1 t -111.15 57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -114.7 169.42 9.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -121.26 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.53 89.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -35.34 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -73.27 -50.81 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.445 HG11 ' O ' ' A' ' 54' ' ' PRO . 2.9 t -44.15 -66.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -56.35 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -47.57 -68.97 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.409 ' OG ' HD22 ' A' ' 105' ' ' LEU . 23.9 t -38.55 -56.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 54' ' ' PRO . 35.7 mt -45.02 -66.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.1 -52.63 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG3' HG21 ' A' ' 28' ' ' ILE . 6.2 mmtt -47.61 -50.05 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.651 ' OH ' ' HB3' ' A' ' 16' ' ' ALA . 3.9 m-85 -65.16 -30.2 71.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.3 6.04 9.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.97 54.25 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -82.81 50.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -45.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.45 170.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.594 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 1.3 t-20 -98.95 127.19 35.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.494 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -2.42 12.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.19 3.36 55.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -108.99 -11.48 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 5.5 m-85 -126.96 142.37 51.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.407 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -128.64 -175.03 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.587 ' O ' HD12 ' A' ' 81' ' ' LEU . 14.7 mm -109.79 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.06 120.95 39.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HD3' HD21 ' A' ' 81' ' ' LEU . 26.2 ptt180 -89.45 134.62 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 78' ' ' GLU . 8.3 t -108.34 114.04 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.411 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.3 mtm -110.56 132.52 54.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.709 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -74.43 153.08 87.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.02 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 67.38 5.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.15 -91.69 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.609 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . 64.18 175.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -173.28 177.54 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 62.64 155.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.1 m -52.83 -54.66 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 135.02 56.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.89 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 54.21 102.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.89 -50.14 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.709 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -44.91 127.34 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 123.18 26.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.727 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -85.89 150.38 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -132.95 117.65 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.9 mm -47.99 154.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 59' ' ' ILE . 4.4 mt -101.64 155.55 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.02 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.64 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -109.0 35.26 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.565 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -81.47 -178.47 6.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 9.6 m -129.27 106.23 17.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -29.0 8.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.705 HD23 ' N ' ' A' ' 32' ' ' THR . 22.0 tp -74.07 -53.5 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.565 HD11 ' OE1' ' A' ' 85' ' ' GLU . 57.4 mt -63.42 -48.11 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.83 -48.84 59.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' CD ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -61.27 -49.23 77.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.04 47.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.2 t-105 -116.64 131.92 23.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.596 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.93 126.56 10.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.3 p -67.52 -33.29 74.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -31.94 72.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 4.1 mttt -64.33 -28.14 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.25 177.37 15.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' A' ' 100' ' ' ILE . 0.5 OUTLIER -67.02 150.53 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.82 137.49 54.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -147.17 149.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD2' HD11 ' A' ' 12' ' ' LEU . 61.2 m-85 -119.02 118.18 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -108.89 163.59 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -126.98 120.61 29.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 177.72 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 139.94 58.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.447 ' NH1' ' C ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -54.15 108.16 1.06 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 18.4 Cg_endo -74.97 144.66 30.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.0 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.19 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.39 -137.57 2.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 56.61 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -56.86 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 t -39.38 134.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA3' HD21 ' A' ' 88' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -129.38 151.3 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -139.19 127.22 22.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.72 103.93 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -95.88 89.69 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.688 ' CE2' HG13 ' A' ' 102' ' ' VAL . 92.4 m-85 -66.54 -46.44 76.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . 40.3 62.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.67 81.39 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.29 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 -34.3 74.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.6 mmtt -143.96 92.35 6.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -38.92 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -44.64 -56.88 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.3 mp -78.11 142.07 63.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 -82.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -130.48 155.52 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -126.67 144.54 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -131.69 120.35 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.735 HG22 ' CE ' ' A' ' 46' ' ' LYS . 3.0 pt -122.14 151.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.28 108.26 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.3 tp -109.11 160.14 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.766 ' C ' HD23 ' A' ' 88' ' ' LEU . 70.2 m -124.18 168.13 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -86.81 50.65 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 17.7 m-20 -41.81 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -106.53 -174.41 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.73 16.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -43.41 -54.84 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -51.43 -56.36 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.35 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 105' ' ' LEU . 3.1 t -44.31 -64.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -46.05 -58.13 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.6 -62.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.4 t -46.87 -48.19 21.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 57' ' ' TYR . 13.8 mt -52.96 -66.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.7 -49.32 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.735 ' CE ' HG22 ' A' ' 28' ' ' ILE . 4.1 mmmt -45.8 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -54.83 -24.41 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.71 33.24 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 52' ' ' GLU . 2.1 mm? -109.61 54.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.26 47.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.18 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.0 mm-40 -48.19 165.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.75 114.11 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.481 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.01 -15.83 20.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.78 -23.61 55.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.66 -42.22 29.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.5 m-85 -89.05 148.92 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.21 -171.6 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 81' ' ' LEU . 7.4 mm -112.17 99.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.666 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -90.31 119.11 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HG2' HD21 ' A' ' 81' ' ' LEU . 28.6 ptt180 -89.21 134.54 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 78' ' ' GLU . 10.6 t -108.33 119.41 57.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtm -112.09 130.69 55.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 122.02 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.716 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.2 pt-20 -97.26 153.0 18.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.91 117.0 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.666 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 6.7 mm -50.6 155.62 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD21 ' HG2' ' A' ' 61' ' ' ARG . 9.7 mt -103.86 159.08 15.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.22 -36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.25 28.12 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.84 -176.37 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.4 m -129.62 110.06 17.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.01 -14.13 21.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.766 HD23 ' C ' ' A' ' 31' ' ' SER . 21.1 tp -93.61 -55.98 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -56.73 -44.71 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.36 -53.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.98 -50.18 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.36 -42.23 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -115.29 52.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 67.6 t-105 -110.87 131.2 22.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -64.71 -32.06 73.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.17 -36.41 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.3 mtpt -64.89 -19.41 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.58 165.33 14.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.9 OUTLIER -58.13 155.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 5.0 tp -122.25 132.7 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.688 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -137.02 141.04 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 12' ' ' LEU . 51.0 m-85 -115.99 102.82 9.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -97.35 153.17 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CD1' HG22 ' A' ' 40' ' ' VAL . 5.4 tp -107.18 113.05 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.13 160.67 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 154.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.616 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -140.23 126.16 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.582 ' C ' HD13 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -86.24 117.59 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 13' ' ' ARG . 3.1 mm -114.39 84.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.69 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.8 m-85 -58.03 -48.07 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.4 64.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -85.66 80.82 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.41 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.97 -37.35 87.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 6.7 mmtt -141.76 94.38 7.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.44 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -50.08 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.615 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.3 mp -75.69 141.27 72.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -88.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -122.11 160.79 24.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -136.12 144.33 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.554 HG22 ' HG3' ' A' ' 13' ' ' ARG . 30.7 p -131.32 111.48 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.555 HG21 ' HG3' ' A' ' 46' ' ' LYS . 6.1 pt -108.03 156.42 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.16 107.78 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.1 tp -110.58 160.07 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.696 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -124.13 175.44 7.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -92.86 33.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.22 -45.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -52.8 174.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.7 p -128.76 -167.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.729 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.77 -40.96 89.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -71.53 -52.85 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -55.82 -43.37 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 36' ' ' ALA . 9.0 t -48.78 -67.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.9 -53.02 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 50.0 mm-40 -52.49 -68.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 19.8 t -38.19 -59.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 54' ' ' PRO . 26.9 mt -40.61 -66.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.35 -52.97 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HG3' HG21 ' A' ' 28' ' ' ILE . 6.5 mmtt -45.43 -41.27 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.1 m-85 -79.22 -31.33 43.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.4 37.81 0.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.02 56.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -89.31 48.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' GLU . 1.3 mtpt -155.77 -45.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 51' ' ' LYS . 19.0 mm-40 -51.53 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.551 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -109.3 123.54 36.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.5 Cg_endo -74.96 -31.0 6.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.557 1.82 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -66.44 -11.99 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.21 -34.2 20.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 42.0 m-85 -98.91 153.81 18.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -137.58 165.88 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 108.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.426 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 18.5 mm -97.6 115.14 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.591 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -104.88 125.55 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HD3' HD21 ' A' ' 81' ' ' LEU . 19.7 ptt180 -89.29 121.07 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.745 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.6 t -98.65 121.64 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.536 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -107.79 121.18 44.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.3 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -128.75 137.68 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.745 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.1 pt-20 -113.9 147.8 37.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -123.16 127.46 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -56.99 147.43 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.611 HD21 ' HD3' ' A' ' 61' ' ' ARG . 6.9 mt -95.39 168.88 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 4.3 t0 -55.98 -67.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 1.7 t0 156.13 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -106.13 15.96 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.82 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 m -116.21 107.22 47.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.574 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -10.71 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.696 HD23 ' C ' ' A' ' 31' ' ' SER . 15.2 tp -94.73 -54.03 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.64 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.5 mt -56.61 -49.9 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.415 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 15.1 t80 -53.07 -60.61 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -31.69 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -103.93 44.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.572 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.3 t-105 -115.61 130.76 24.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.94 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.5 p -56.31 -26.91 53.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.63 -33.55 76.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.455 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 5.1 mtpp -69.13 -17.57 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.16 -166.8 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.502 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.5 mm -80.73 157.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 10.7 tp -121.89 142.06 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.7 t -145.99 146.61 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.616 ' CD2' HD11 ' A' ' 12' ' ' LEU . 54.3 m-85 -122.19 104.9 9.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -98.41 160.69 14.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 128.4 52.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.45 174.89 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 163.87 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.433 HG22 HD22 ' A' ' 29' ' ' LEU . 22.0 p -129.58 167.52 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.609 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -139.66 127.11 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.24 110.9 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.5 mm -108.36 94.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -64.37 -46.37 83.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 63.39 49.16 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.16 69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER 170.61 -72.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.13 -43.43 66.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -137.56 86.58 18.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.46 18.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -62.39 -72.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -55.01 142.22 57.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -172.08 158.86 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 16.1 mmtt -136.62 152.81 50.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -130.46 132.95 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.682 HG22 ' HE2' ' A' ' 46' ' ' LYS . 4.3 pt -129.85 158.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD22 HG22 ' A' ' 11' ' ' THR . 1.5 mm? -76.65 104.96 7.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -108.54 159.96 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -124.05 161.6 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.477 ' CG2' ' NH1' ' A' ' 92' ' ' ARG . 18.9 p -80.31 54.9 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ASP . 3.8 t -174.99 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' THR . 8.1 m-20 -39.92 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -100.95 164.06 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -66.11 -18.13 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.99 -43.16 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -65.38 -41.49 93.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -65.44 -46.64 79.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 36' ' ' ALA . 5.2 t -49.21 -56.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -53.16 -60.71 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' CB ' HD13 ' A' ' 28' ' ' ILE . 34.7 mm-40 -44.27 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.425 ' OG ' HD22 ' A' ' 105' ' ' LEU . 46.8 t -42.57 -55.35 3.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.762 HD21 ' HD2' ' A' ' 57' ' ' TYR . 13.9 mt -44.65 -64.36 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 19.7 mt-10 -46.49 -53.84 10.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.682 ' HE2' HG22 ' A' ' 28' ' ' ILE . 6.0 mmmt -41.84 -63.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 21.4 m-85 -57.73 -25.55 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 115.39 3.05 21.17 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD22 ' CB ' ' A' ' 47' ' ' TYR . 1.2 mm? -79.43 55.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.88 46.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -156.17 -46.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 7.6 mm-40 -44.33 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.01 113.8 59.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -74.99 -8.23 19.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.11 -22.43 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -80.95 -40.09 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.762 ' HD2' HD21 ' A' ' 44' ' ' LEU . 4.9 m-30 -88.32 158.59 18.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.81 -176.22 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.74 114.96 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -100.54 122.41 43.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' CD ' HD21 ' A' ' 81' ' ' LEU . 24.8 ptt180 -89.48 133.1 34.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.4 t -107.94 117.12 52.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.1 mtm -106.47 122.53 46.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.9 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.8 tttt -117.76 139.02 51.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.578 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -116.84 150.67 38.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.7 mt -127.76 127.69 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 60' ' ' ALA . 9.4 mm -56.72 156.32 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' A' ' 61' ' ' ARG . 63.1 mt -114.41 166.0 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.52 22.79 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 30.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -82.06 168.98 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.559 ' O ' HD12 ' A' ' 90' ' ' ILE . 6.5 m -117.34 100.02 52.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -19.58 17.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.53 HD11 ' NE ' ' A' ' 92' ' ' ARG . 7.5 tp -88.69 -62.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -49.96 -40.28 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 86' ' ' CYS . 45.1 mt -57.74 -60.47 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.425 ' HA ' HD22 ' A' ' 101' ' ' LEU . 39.7 t80 -43.19 -54.17 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NE ' HD11 ' A' ' 88' ' ' LEU . 2.2 mpt_? -54.72 -41.29 70.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -100.8 41.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 101' ' ' LEU . 70.9 t-105 -113.45 131.04 23.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.566 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 109.85 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.5 p -52.44 -31.28 33.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.83 -43.6 94.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.8 mtpp -55.7 -23.39 28.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.56 167.21 12.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -58.0 154.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.2 tp -121.91 139.95 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.2 t -147.8 151.22 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD2' HD11 ' A' ' 12' ' ' LEU . 74.1 m-85 -125.41 113.76 17.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -107.19 142.04 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 40' ' ' VAL . 5.6 tp -90.14 113.23 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 164.43 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 177.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 29' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 p -129.63 167.62 17.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -147.2 122.81 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.49 115.61 18.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -114.54 85.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.7 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.7 m-85 -60.15 -47.94 83.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 42.89 49.72 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -73.38 78.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.63 -54.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.67 -34.66 78.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.655 ' HE3' HD21 ' A' ' 49' ' ' LEU . 3.0 mmtt -141.59 91.82 8.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.92 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -54.92 -56.97 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.6 mp -80.85 141.08 50.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -46.08 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.61 156.68 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -141.88 144.22 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -125.67 118.79 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.608 HG21 ' HG3' ' A' ' 46' ' ' LYS . 7.6 pt -106.4 157.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 10' ' ' GLY . 1.7 mm? -75.24 107.33 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.67 159.78 17.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.812 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -124.01 176.33 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 p -96.45 37.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.74 -45.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.86 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.498 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 7.3 p -123.84 -172.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.51 -42.75 61.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.9 -48.41 51.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.67 -52.18 61.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.83 -40.85 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 36' ' ' ALA . 20.0 t -53.1 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.44 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.2 mm-40 -45.13 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.481 ' OG ' HD22 ' A' ' 105' ' ' LEU . 44.1 t -38.09 -56.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 57' ' ' TYR . 43.2 mt -46.47 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.12 -50.51 58.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 28' ' ' ILE . 11.5 mmtt -52.21 -41.85 63.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.55 -20.86 58.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.34 3.93 27.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.655 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.2 mm? -89.49 57.57 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -153.9 -46.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.47 171.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.89 116.63 66.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 -27.78 9.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.7 62.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.09 -40.74 14.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.3 m-85 -91.99 152.29 20.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -176.82 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mm -110.27 109.43 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -104.08 121.79 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.871 ' HG2' HD21 ' A' ' 81' ' ' LEU . 27.0 ptt180 -89.73 133.11 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.846 HG22 ' HB3' ' A' ' 78' ' ' GLU . 14.8 t -105.28 118.65 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.9 mtm -111.65 122.25 47.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HB1' HG12 ' A' ' 62' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.56 118.83 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.846 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -103.79 152.12 22.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -134.34 117.32 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 60' ' ' ALA . 5.1 mm -50.72 158.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD21 ' HG2' ' A' ' 61' ' ' ARG . 4.7 mt -115.34 -177.63 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.58 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -118.16 13.11 13.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 2.7 p-10 -146.6 22.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.535 ' OE1' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -74.77 177.52 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.589 ' O ' HD12 ' A' ' 90' ' ' ILE . 39.1 m -133.07 104.09 12.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.517 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.02 -13.97 21.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.812 HD23 ' C ' ' A' ' 31' ' ' SER . 9.7 tp -88.66 -62.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -52.9 -40.48 63.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 86' ' ' CYS . 44.6 mt -55.97 -63.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.413 ' HA ' HD22 ' A' ' 101' ' ' LEU . 35.2 t80 -41.69 -52.83 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.507 ' HD2' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -54.62 -42.68 71.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.88 45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.0 t-105 -115.98 130.83 24.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 120.38 6.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.7 p -64.96 -21.71 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.24 -34.29 75.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.1 mtpt -66.22 -29.33 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.21 -174.67 19.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -75.18 154.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.462 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 8.1 tp -120.64 138.77 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.7 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.5 t -147.4 140.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CD2' HD11 ' A' ' 12' ' ' LEU . 67.6 m-85 -114.9 113.94 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.31 163.96 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD22 ' OG ' ' A' ' 43' ' ' SER . 2.6 tp -123.31 109.63 14.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 -177.55 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 166.63 7.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -129.51 148.21 51.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.654 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -135.73 132.33 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' HG22 ' A' ' 27' ' ' THR . 0.9 OUTLIER -100.4 107.23 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mm -98.24 83.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.676 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.8 m-85 -59.77 -48.76 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 15' ' ' TYR . . . 66.83 -71.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' TYR . 8.0 t70 48.09 38.13 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -151.72 -55.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.58 -25.87 61.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.0 mmtt -146.52 96.47 4.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -44.19 -60.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.1 mp -75.32 142.07 74.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 -84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.21 156.76 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -124.1 146.87 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.717 HG22 ' HG2' ' A' ' 13' ' ' ARG . 71.4 p -129.35 113.5 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.725 HG22 ' HE3' ' A' ' 46' ' ' LYS . 4.1 pt -117.33 153.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.54 103.63 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -105.28 159.23 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' HD23 ' A' ' 88' ' ' LEU . 5.8 p -124.65 173.81 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.0 p -88.23 40.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -151.16 -44.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -38.86 157.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 1.4 p -112.89 148.72 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -47.26 -25.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.51 -43.35 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' THR . 7.2 t80 -69.69 -46.6 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.92 67.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 36' ' ' ALA . 2.5 t -41.21 -63.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -45.12 -58.79 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.45 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.58 ' OG ' HD22 ' A' ' 105' ' ' LEU . 46.4 t -43.1 -56.43 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.722 HD21 ' HD2' ' A' ' 57' ' ' TYR . 19.5 mt -42.74 -63.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.0 mt-10 -46.01 -54.13 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HE3' HG22 ' A' ' 28' ' ' ILE . 2.8 mmmt -42.22 -66.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 105.43 28.06 5.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.2 mm? -103.95 54.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.53 45.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -154.11 -46.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.76 165.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -90.6 112.67 54.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -15.8 20.59 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -76.65 -19.42 57.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -32.7 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.722 ' HD2' HD21 ' A' ' 44' ' ' LEU . 2.5 m-30 -94.41 149.17 21.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.41 -173.41 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 108.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.6 mm -113.03 103.08 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.761 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -97.42 119.9 36.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.626 ' CD ' HD21 ' A' ' 81' ' ' LEU . 19.2 ptt180 -89.08 135.84 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.1 t -105.97 116.62 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.499 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -101.04 115.27 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 125.82 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.802 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -112.08 154.38 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.67 124.69 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.761 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 10.0 mm -60.38 150.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.626 HD21 ' CD ' ' A' ' 61' ' ' ARG . 4.8 mt -105.4 -176.18 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -176.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.95 13.74 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -162.64 40.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -94.83 164.92 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.4 m -106.96 106.68 58.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.522 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.0 -20.55 16.75 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.629 ' HB2' HD23 ' A' ' 12' ' ' LEU . 16.5 tp -86.04 -54.13 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -34.67 66.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.444 HD11 ' CD ' ' A' ' 85' ' ' GLU . 71.4 mt -69.96 -48.66 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.74 -43.49 47.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.425 ' HD2' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.52 -46.18 87.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.87 42.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.583 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.4 t-105 -113.75 130.98 23.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.583 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 120.81 6.22 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.8 p -63.18 -32.35 73.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.39 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.6 mtpt -63.16 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 129.08 176.87 14.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.2 mm -65.87 154.62 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 6.9 tp -122.36 137.71 54.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.676 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.0 t -145.6 142.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.654 ' CD2' HD11 ' A' ' 12' ' ' LEU . 68.0 m-85 -115.3 111.03 20.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.99 168.61 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.58 HD22 ' OG ' ' A' ' 43' ' ' SER . 3.2 tp -125.59 106.36 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 168.46 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 169.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.547 HG22 HD22 ' A' ' 29' ' ' LEU . 24.9 p -129.64 167.35 18.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.345 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.623 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -140.26 125.16 18.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' C ' HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -85.16 117.02 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.463 HD13 ' C ' ' A' ' 13' ' ' ARG . 4.0 mm -111.56 80.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.597 ' CE2' HG13 ' A' ' 102' ' ' VAL . 84.1 m-85 -54.62 -48.82 71.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.94 87.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 18' ' ' SER . 27.7 t0 -100.64 64.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 162.19 53.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -173.82 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' A' ' 49' ' ' LEU . 7.6 mmtt -143.75 91.86 6.59 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.69 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.06 -56.32 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.591 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.0 mp -84.61 140.96 38.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 -76.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.23 137.11 53.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -121.92 117.29 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.699 HG22 ' CE ' ' A' ' 46' ' ' LYS . 5.5 pt -117.92 156.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 11' ' ' THR . 1.6 mm? -76.43 104.61 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.6 tp -106.84 158.91 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.534 HG22 ' CD2' ' A' ' 88' ' ' LEU . 20.9 p -91.62 47.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.48 -44.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -48.66 173.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 6.7 p -120.52 174.51 6.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -67.89 -30.7 70.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.74 -40.03 95.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -69.49 -49.51 54.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.52 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD12 ' A' ' 105' ' ' LEU . 2.7 t -42.71 -59.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.11 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.15 -64.57 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.22 -48.5 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 57' ' ' TYR . 21.3 mt -53.87 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.699 ' CE ' HG22 ' A' ' 28' ' ' ILE . 3.9 mmmt -44.9 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -55.53 -23.3 25.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.21 14.49 13.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.1 mm? -89.26 54.89 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.48 43.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -150.14 -46.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.55 172.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.15 117.36 65.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.97 -11.2 21.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -13.09 55.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.03 -40.99 12.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.756 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.7 m-85 -91.63 148.05 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -173.91 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.57 ' O ' HD12 ' A' ' 81' ' ' LEU . 15.1 mm -108.78 105.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -97.45 119.66 36.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.497 ' HD3' HD21 ' A' ' 81' ' ' LEU . 12.2 ptt180 -89.21 125.94 35.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.742 HG22 ' HB3' ' A' ' 78' ' ' GLU . 5.7 t -103.64 115.4 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.563 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -105.33 117.57 34.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -127.92 122.16 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.742 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -105.34 155.66 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mt -135.61 106.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -42.12 154.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 59' ' ' ILE . 1.4 mt -103.4 156.44 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.76 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 170.74 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 20.3 m-20 -103.62 30.4 5.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -87.77 175.73 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 115.01 29.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.483 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.534 ' CD2' HG22 ' A' ' 32' ' ' THR . 25.3 tp -83.01 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -50.34 -43.05 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 85' ' ' GLU . 47.4 mt -56.61 -42.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.25 -51.49 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -54.48 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.33 49.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.7 t-105 -102.8 130.04 24.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 p -66.14 -16.97 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -77.31 -22.17 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 1.1 mttt -76.08 -27.98 57.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.02 179.02 15.56 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.1 mm -66.57 154.31 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 10.5 tp -122.08 137.83 54.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.597 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -146.26 141.07 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD2' HD11 ' A' ' 12' ' ' LEU . 47.2 m-85 -116.24 105.6 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -101.01 141.62 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -100.0 121.53 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 -173.45 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 164.36 26.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.651 HG22 HD22 ' A' ' 29' ' ' LEU . 1.2 p -122.6 138.07 54.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -116.4 134.14 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG2' HG22 ' A' ' 27' ' ' THR . 2.6 mtt85 -95.53 107.52 19.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 mm -106.13 87.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.506 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 87.0 m-85 -63.17 -46.69 85.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 15' ' ' TYR . . . 72.06 -64.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t0 39.95 50.42 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -171.3 -58.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 57' ' ' TYR . 7.2 tp -74.65 -25.09 58.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.48 96.48 7.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 85.9 m-20 63.46 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -39.63 140.97 0.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -139.0 150.41 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -116.76 141.25 48.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 13' ' ' ARG . 80.6 p -125.3 110.58 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.496 HG21 ' HG3' ' A' ' 46' ' ' LYS . 3.6 pt -108.38 152.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD22 HG22 ' A' ' 11' ' ' THR . 1.3 mm? -73.95 115.48 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -119.97 158.82 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.965 ' C ' HD23 ' A' ' 88' ' ' LEU . 66.0 m -124.2 173.8 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -88.2 61.92 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.6 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -38.98 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 p -105.65 151.6 24.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.48 62.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -54.35 48.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.96 -48.6 72.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.487 HG23 HG12 ' A' ' 59' ' ' ILE . 2.5 t -47.86 -58.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.36 -53.77 26.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.4 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.451 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.4 p -40.2 -53.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 57' ' ' TYR . 39.4 mt -48.85 -67.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.55 -50.81 52.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HG3' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -52.17 -46.55 65.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -71.07 -25.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.02 29.38 3.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.3 mm? -112.89 59.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -87.68 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.17 -46.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.11 166.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 116.69 66.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 -30.16 7.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -65.35 -14.48 60.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -88.46 -39.97 13.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.59 ' HD2' HD21 ' A' ' 44' ' ' LEU . 3.8 m-30 -91.84 147.28 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.76 -171.78 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.487 HG12 HG23 ' A' ' 40' ' ' VAL . 17.0 mm -113.74 104.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.729 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -96.66 120.18 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 16.3 ptt180 -90.78 133.77 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 78' ' ' GLU . 11.8 t -107.44 118.36 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.94 120.26 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -113.5 141.36 47.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.802 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -123.2 150.99 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.33 124.87 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.729 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 10.5 mm -58.78 159.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.519 HD11 ' HE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -118.33 -176.78 3.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -177.72 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.28 20.6 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.32 36.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.49 -177.61 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.562 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.2 p -129.72 100.27 19.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 108.254 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.965 HD23 ' C ' ' A' ' 31' ' ' SER . 14.1 tp -72.14 -63.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.31 -46.3 65.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 86' ' ' CYS . 46.0 mt -53.06 -47.14 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.36 -46.89 72.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -46.39 -44.26 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -108.71 48.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 62.2 t-105 -104.78 131.86 21.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.599 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 132.41 15.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -39.96 72.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.44 -37.63 65.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 3.1 mttp -59.09 -30.56 68.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.16 167.55 12.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.7 OUTLIER -59.6 149.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.407 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 1.3 tp -122.71 140.17 53.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.0 t -147.85 148.91 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 12' ' ' LEU . 45.7 m-85 -118.44 109.82 16.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -99.32 141.36 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 43' ' ' SER . 8.2 tp -94.35 103.36 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.97 179.33 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 175.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.429 HG22 HD22 ' A' ' 29' ' ' LEU . 1.4 p -124.99 141.19 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -128.57 128.29 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.685 ' HG2' HG22 ' A' ' 27' ' ' THR . 5.5 mtt85 -96.34 111.25 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.403 HD13 ' C ' ' A' ' 13' ' ' ARG . 3.7 mm -100.54 84.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.664 ' CE2' HG13 ' A' ' 102' ' ' VAL . 89.2 m-85 -55.19 -48.4 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.08 65.65 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.32 70.2 10.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.79 -27.87 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.629 ' HE3' HD21 ' A' ' 49' ' ' LEU . 9.3 mttt -156.0 95.27 2.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.29 2.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -41.65 -62.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.697 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.9 mp -70.77 142.29 88.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -55.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.82 163.48 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.09 143.23 51.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 13' ' ' ARG . 71.3 p -129.25 111.42 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.881 HG22 ' HE2' ' A' ' 46' ' ' LYS . 3.2 pt -117.01 151.54 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD22 HG22 ' A' ' 11' ' ' THR . 1.4 mm? -79.06 106.03 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 39' ' ' ALA . 2.0 tp -101.57 161.93 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.86 155.45 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.446 HG22 ' CD2' ' A' ' 88' ' ' LEU . 79.5 p -79.09 53.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.54 -43.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.21 179.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 p -125.76 -170.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.776 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -73.65 -28.6 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.92 -43.91 94.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -67.14 -52.54 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -58.53 -41.12 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 36' ' ' ALA . 4.9 t -51.69 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -46.92 -52.24 14.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' CB ' HD13 ' A' ' 28' ' ' ILE . 2.6 mm-40 -47.87 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 16.6 t -43.8 -56.07 4.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 57' ' ' TYR . 32.5 mt -40.79 -61.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -47.84 -52.15 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.881 ' HE2' HG22 ' A' ' 28' ' ' ILE . 13.4 mmmt -45.68 -64.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.53 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 21.1 m-85 -55.54 -24.18 30.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.491 ' O ' HD13 ' A' ' 49' ' ' LEU . . . 107.4 45.29 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.629 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.9 mm? -125.41 61.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.5 44.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -45.47 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.79 118.3 63.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -16.62 20.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 1.9 mmtt -72.93 -5.97 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -98.1 -33.9 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.654 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.2 m-85 -94.87 135.87 35.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 80' ' ' ILE . 21.8 p -119.69 -177.13 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.776 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 11.8 mm -117.38 100.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.676 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -93.6 124.25 37.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HD3' HD21 ' A' ' 81' ' ' LEU . 10.9 ptt180 -89.21 131.47 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.9 t -105.39 115.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.3 mtm -107.89 116.33 31.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -132.37 118.33 19.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.759 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.65 150.87 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -129.86 123.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.4 mm -55.0 155.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 59' ' ' ILE . 12.7 mt -106.85 165.8 11.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.4 OUTLIER -66.54 -13.65 61.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 8.8 t0 88.35 -39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.28 8.78 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.501 ' CD ' HD11 ' A' ' 90' ' ' ILE . 1.3 mt-10 -82.44 172.52 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -106.33 112.84 63.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -17.35 19.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.446 ' CD2' HG22 ' A' ' 32' ' ' THR . 39.2 tp -86.35 -65.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -40.81 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 86' ' ' CYS . 48.8 mt -59.77 -49.47 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.77 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 58.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 68.8 t-105 -116.36 131.5 23.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.582 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.04 119.74 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -62.28 -31.03 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.53 -37.98 82.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 3.8 mtpt -59.34 -31.33 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.69 -177.96 17.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.532 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.9 OUTLIER -68.74 152.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 9.3 tp -122.28 137.13 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.664 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.6 t -147.69 149.95 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 12' ' ' LEU . 51.0 m-85 -122.73 118.01 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.51 156.2 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.93 172.97 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 141.93 57.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 p -129.6 167.55 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.41 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -146.88 127.02 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -87.02 106.36 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -103.65 85.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.646 ' CE2' HG13 ' A' ' 102' ' ' VAL . 96.1 m-85 -56.93 -48.1 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.13 50.3 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.41 73.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -178.0 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.3 -36.98 33.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HD3' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -127.74 90.76 47.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -74.98 170.57 20.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.3 m-20 79.03 -57.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -58.73 142.35 83.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.9 -76.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -145.48 156.43 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.592 ' HE2' HG21 ' A' ' 23' ' ' ILE . 4.7 mptt -127.43 141.39 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -129.43 111.54 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 6.2 pt -105.91 156.05 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.08 104.19 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.538 HD11 ' CB ' ' A' ' 39' ' ' ALA . 1.4 tp -107.26 159.6 16.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.508 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -124.1 178.21 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.147 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.1 p -88.73 -12.06 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -97.65 -35.99 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -58.68 154.62 14.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 71.5 p -108.63 -163.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.41 -57.38 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.82 -53.84 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 30' ' ' LEU . . . -54.88 -41.58 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG13 HD11 ' A' ' 105' ' ' LEU . 15.4 t -58.47 -65.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.2 -43.01 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.21 -61.05 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' TYR . 17.3 t -43.57 -57.54 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 57' ' ' TYR . 22.6 mt -41.18 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.4 -55.0 28.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 4.6 mmtt -47.54 -33.66 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.0 m-85 -84.38 -32.8 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.35 -7.05 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -78.13 57.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.46 44.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -154.24 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.42 178.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.29 123.84 36.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.511 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.01 -27.5 9.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -62.83 -13.88 39.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 78.7 m-20 -91.22 -35.81 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.745 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.4 m-85 -96.01 139.02 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 80' ' ' ILE . 15.0 p -128.4 176.07 8.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.5 mm -103.24 103.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.792 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -97.0 119.8 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.664 ' NE ' HD21 ' A' ' 81' ' ' LEU . 16.1 ptt180 -89.05 121.46 31.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.1 t -106.29 114.45 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.53 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.89 121.02 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.882 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.3 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.882 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.72 138.57 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.655 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -107.48 159.41 16.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.52 104.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.792 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.9 mm -47.43 146.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.795 HD22 ' OE1' ' A' ' 85' ' ' GLU . 9.8 mt -107.89 167.2 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.09 20.35 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.82 23.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.795 ' OE1' HD22 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -84.47 160.14 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.408 ' O ' HD12 ' A' ' 90' ' ' ILE . 60.3 m -113.14 112.07 49.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.487 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -27.19 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 31' ' ' SER . 5.2 tp -76.86 -59.44 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -50.97 -42.74 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.693 HD11 ' OE2' ' A' ' 85' ' ' GLU . 45.7 mt -56.49 -57.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.27 -46.62 79.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -45.75 -43.88 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -108.51 49.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.5 t-105 -107.77 131.06 22.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.99 124.84 8.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.6 p -69.56 -29.08 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -26.86 67.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -68.3 -37.66 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.65 -170.37 24.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.3 mm -79.46 155.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.9 tp -122.18 140.54 52.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.646 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.5 t -146.54 138.98 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 12' ' ' LEU . 39.4 m-85 -115.68 102.6 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -96.96 150.67 20.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.518 HD11 HG13 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -113.48 117.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.91 155.44 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -45.0 145.44 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.549 HG22 HD22 ' A' ' 29' ' ' LEU . 26.2 p -129.54 167.53 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.649 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -139.17 127.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -85.52 113.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.09 85.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' CE2' HG11 ' A' ' 102' ' ' VAL . 25.7 m-85 -49.92 -49.06 51.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.63 74.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.48 -56.01 8.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.65 68.56 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 57' ' ' TYR . 1.9 tp 177.87 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HE3' HD21 ' A' ' 49' ' ' LEU . 15.8 mmtt -140.79 86.04 12.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.62 -45.41 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.8 mt -71.71 139.87 83.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.96 -54.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 8.7 p90 -167.81 164.23 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 33.5 mmtt -138.71 146.24 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -124.82 113.9 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 30' ' ' LEU . 5.2 pt -108.63 157.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD22 HG22 ' A' ' 11' ' ' THR . 1.6 mm? -78.19 104.75 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.528 HD13 HD11 ' A' ' 28' ' ' ILE . 1.6 tp -109.05 162.54 14.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.763 ' C ' HD23 ' A' ' 88' ' ' LEU . 1.2 t -123.56 -176.06 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -101.79 2.22 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -113.76 -23.0 9.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.482 ' CG ' ' CD2' ' A' ' 38' ' ' PHE . 19.6 m-20 -62.35 177.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -130.9 169.14 16.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.19 -38.84 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.48 -52.64 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD2' ' CG ' ' A' ' 34' ' ' ASP . 85.4 t80 -58.75 -49.62 76.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 30' ' ' LEU . . . -56.77 -45.09 82.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' ALA . 9.2 t -51.41 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.53 -53.77 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.6 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -43.51 -58.17 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD21 ' CD2' ' A' ' 57' ' ' TYR . 38.3 mt -43.83 -68.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.5 mt-10 -49.71 -56.54 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 7.3 mmmt -45.58 -48.44 14.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 1.4 m-85 -68.89 -26.75 65.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.49 26.93 3.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.7 mm? -112.48 62.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.47 44.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -153.07 -46.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -47.96 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -101.53 116.63 63.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.06 -9.52 20.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -81.01 -11.28 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.46 -37.75 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.791 ' CD2' HD21 ' A' ' 44' ' ' LEU . 10.9 m-85 -91.27 145.16 24.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.623 ' SG ' HD12 ' A' ' 80' ' ' ILE . 13.9 p -132.57 171.95 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.364 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.7 mm -100.26 112.92 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.752 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -107.16 121.95 45.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.507 ' CD ' HD21 ' A' ' 81' ' ' LEU . 29.3 ptt180 -89.29 127.66 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.672 HG13 ' HB3' ' A' ' 78' ' ' GLU . 1.7 t -108.58 120.32 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.44 122.28 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.551 HD23 HG22 ' A' ' 100' ' ' ILE . 1.2 mm? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.18 138.13 50.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.672 ' HB3' HG13 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -118.83 155.41 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.5 mt -129.53 115.57 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.752 HD13 ' HB2' ' A' ' 60' ' ' ALA . 5.6 mm -51.59 148.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.507 HD21 ' CD ' ' A' ' 61' ' ' ARG . 21.6 mt -106.96 167.24 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -168.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.21 30.19 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.93 29.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.823 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -93.77 166.42 12.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.512 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.5 p -123.09 109.49 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.546 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -16.72 20.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.763 HD23 ' C ' ' A' ' 31' ' ' SER . 5.3 tp -83.46 -58.77 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.01 -41.53 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.823 HD11 ' OE1' ' A' ' 85' ' ' GLU . 42.8 mt -55.72 -47.99 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -67.03 -47.33 71.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -46.13 -34.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.49 54.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 64.0 t-105 -117.0 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.1 p -67.06 -39.47 86.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -34.32 62.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.5 mtpt -63.65 -27.07 68.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.68 174.18 13.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.551 HG22 HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -65.9 153.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.8 tp -122.0 141.67 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -147.39 157.24 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 12' ' ' LEU . 67.6 m-85 -131.49 107.59 8.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -97.24 145.91 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.12 130.38 55.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.24 173.51 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.34 146.82 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -143.79 121.38 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' HG22 ' A' ' 27' ' ' THR . 5.4 mtt-85 -84.09 115.08 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 13' ' ' ARG . 4.0 mm -110.54 82.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 91.6 m-85 -53.82 -48.96 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.35 53.99 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.04 74.6 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -177.04 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.85 -37.71 77.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -129.38 86.12 57.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 49.02 2.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.66 -51.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.569 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.1 mp -80.98 140.76 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.569 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -167.96 158.13 10.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -141.16 145.68 36.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.435 HG22 ' CG ' ' A' ' 13' ' ' ARG . 58.5 p -126.61 137.51 53.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.792 HG22 ' HE2' ' A' ' 46' ' ' LYS . 3.6 pt -129.12 156.68 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.45 107.08 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -113.84 158.61 20.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.591 ' C ' HD23 ' A' ' 88' ' ' LEU . 54.8 p -124.17 -178.32 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -93.11 18.63 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.9 OUTLIER -128.19 -43.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' THR . 29.8 m-20 -45.2 168.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -118.93 -177.48 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -73.82 -37.82 64.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.36 -48.61 76.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.82 -51.27 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.62 -50.73 72.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 59' ' ' ILE . 2.7 t -40.28 -60.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.33 -59.07 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.49 -61.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.451 ' OG ' HD22 ' A' ' 105' ' ' LEU . 30.5 t -45.08 -49.26 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 HD11 ' HD2' ' A' ' 57' ' ' TYR . 41.0 mt -52.99 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -44.35 -50.25 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.792 ' HE2' HG22 ' A' ' 28' ' ' ILE . 8.8 mmmt -44.0 -66.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.2 m-85 -54.24 -25.11 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.36 28.39 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.557 HD12 ' HG3' ' A' ' 52' ' ' GLU . 2.1 mm? -104.93 56.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.78 47.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -155.92 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.5 mm-40 -47.74 170.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.49 116.23 66.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -28.07 9.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -22.48 66.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.51 -41.99 30.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.463 ' HD2' HD11 ' A' ' 44' ' ' LEU . 5.6 m-85 -89.75 151.75 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 178.59 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.55 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 33.2 mm -99.69 106.34 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.719 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.26 120.73 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.461 ' CD ' HD21 ' A' ' 81' ' ' LEU . 16.9 ptt180 -90.14 131.17 36.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.771 HG22 ' HB3' ' A' ' 78' ' ' GLU . 16.6 t -103.83 118.24 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.6 mtm -112.85 127.05 56.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.8 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.1 ttpt -123.39 138.52 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.771 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -114.46 156.95 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mt -135.11 123.2 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.719 HD13 ' HB2' ' A' ' 60' ' ' ALA . 8.4 mm -56.24 153.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 59' ' ' ILE . 6.5 mt -102.17 161.48 13.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -48.9 -72.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER 159.86 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.46 23.5 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -85.91 176.64 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.555 ' O ' HD12 ' A' ' 90' ' ' ILE . 63.7 m -125.34 118.71 24.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -30.08 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.591 HD23 ' C ' ' A' ' 31' ' ' SER . 19.3 tp -70.43 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.96 -43.27 60.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 86' ' ' CYS . 50.3 mt -58.38 -42.45 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -70.01 -40.79 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.89 -43.08 76.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.5 53.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.3 t-105 -114.33 131.58 23.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.03 126.28 9.85 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -66.22 -40.92 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -38.15 57.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 4.4 mtpt -58.95 -35.17 72.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.9 173.87 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.9 OUTLIER -64.18 152.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 5.5 tp -122.24 136.48 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.609 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.1 t -147.62 142.6 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 12' ' ' LEU . 68.5 m-85 -113.97 110.39 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -97.56 165.28 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.451 HD22 ' OG ' ' A' ' 43' ' ' SER . 15.4 tp -113.41 104.19 12.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.62 169.54 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 170.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 143.16 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.771 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -120.06 128.87 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.57 104.27 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.9 mm -95.88 80.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.671 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 83.8 m-85 -52.72 -49.43 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.669 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . . . 52.42 100.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.3 -48.51 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -85.6 53.71 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 106' ' ' LYS . 2.1 tp -174.2 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.862 ' HD2' HD13 ' A' ' 23' ' ' ILE . 26.4 mmtt -129.59 87.87 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -55.27 -69.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.862 HD13 ' HD2' ' A' ' 20' ' ' LYS . 4.6 mp -58.13 140.97 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -62.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -156.03 162.5 40.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD3' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -127.35 147.62 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 p -127.53 116.19 19.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.745 HG22 ' HG2' ' A' ' 46' ' ' LYS . 6.7 pt -118.37 156.78 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -79.24 112.35 16.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -115.78 159.75 21.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.899 ' C ' HD23 ' A' ' 88' ' ' LEU . 15.5 p -124.02 178.41 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -91.45 29.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.22 -45.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -42.41 163.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.7 179.12 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.56 98.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.97 -48.54 67.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.43 -51.07 71.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.24 -50.87 72.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' ' 54' ' ' PRO . 24.2 t -47.23 -58.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.09 -54.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -43.02 -57.57 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CA ' ' HB2' ' A' ' 49' ' ' LEU . 18.4 mt -40.11 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 mt-10 -43.53 -56.67 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.745 ' HG2' HG22 ' A' ' 28' ' ' ILE . 9.9 mptt -42.89 -67.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.669 ' OH ' ' HB3' ' A' ' 16' ' ' ALA . 6.2 m-85 -51.47 -22.92 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 110.94 19.29 7.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.527 HD21 ' HE3' ' A' ' 20' ' ' LYS . 1.9 mm? -93.97 56.14 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.46 45.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.64 -46.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.54 170.74 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 9.4 t30 -102.77 136.02 19.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HB3' HG12 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 -0.57 10.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -10.25 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -9.11 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 8.2 m-85 -128.51 156.63 42.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -139.54 173.74 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' HD12 ' A' ' 81' ' ' LEU . 13.5 mm -102.45 111.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -100.16 119.43 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.668 ' HD3' HD21 ' A' ' 81' ' ' LEU . 21.8 ptt180 -89.12 132.81 34.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.833 HG22 ' HB3' ' A' ' 78' ' ' GLU . 13.7 t -107.35 115.08 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.7 mtm -109.28 138.61 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -132.43 118.12 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.833 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.4 pt-20 -105.25 150.04 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 mt -133.03 118.85 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.662 HD13 ' HB2' ' A' ' 60' ' ' ALA . 7.0 mm -52.24 152.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.668 HD21 ' HD3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -99.48 161.59 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.1 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.99 27.53 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.532 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -84.08 175.33 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 88.1 m -125.6 109.5 25.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.497 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -21.5 15.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.899 HD23 ' C ' ' A' ' 31' ' ' SER . 28.3 tp -84.6 -51.29 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.86 -40.64 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.532 HD11 ' OE1' ' A' ' 85' ' ' GLU . 52.0 mt -61.08 -47.56 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.41 ' HA ' HD22 ' A' ' 101' ' ' LEU . 29.6 t80 -52.4 -49.84 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.79 92.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.89 42.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -112.91 131.61 22.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.042 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 -36.73 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.02 -38.05 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 5.4 mtpt -60.22 -35.06 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.14 175.18 13.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.7 OUTLIER -64.8 154.51 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.4 tp -122.04 136.65 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.74 141.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.771 ' CD2' HD11 ' A' ' 12' ' ' LEU . 77.2 m-85 -113.4 118.42 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.03 132.6 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.2 ptmt -138.13 171.63 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 161.89 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -129.37 167.51 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -144.26 124.7 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.89 112.81 18.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.27 88.59 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.695 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 87.9 m-85 -66.38 -46.8 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 44.14 59.14 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.2 t70 -82.03 82.12 7.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER 167.04 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.34 -18.23 65.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HE3' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -162.02 91.92 1.37 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.23 5.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -52.48 -46.43 66.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -86.26 140.78 34.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 -73.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -141.72 156.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 19.8 mmtt -128.0 143.07 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.7 p -129.62 111.35 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.559 HG21 ' HG3' ' A' ' 46' ' ' LYS . 12.8 pt -112.11 160.65 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.66 115.67 21.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.74 159.09 20.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -124.15 153.39 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.435 HG21 ' NH2' ' A' ' 92' ' ' ARG . 4.3 p -75.16 56.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.63 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -54.94 155.66 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.7 p -107.57 -178.91 3.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.52 -48.13 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' ALA . 54.3 t0 -40.13 -52.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -59.79 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.59 56.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 36' ' ' ALA . 52.3 t -50.32 -69.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.11 -48.73 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.3 mm-40 -54.4 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.2 p -37.84 -59.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.616 HD22 ' HG2' ' A' ' 52' ' ' GLU . 17.7 mt -40.43 -68.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.8 mt-10 -52.69 -54.18 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HG3' HG21 ' A' ' 28' ' ' ILE . 32.1 mmtt -46.17 -42.39 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 3.8 m-85 -77.14 -25.2 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.51 22.6 5.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.54 HD21 ' HE3' ' A' ' 20' ' ' LYS . 3.1 mm? -103.16 67.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -99.49 56.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -157.62 -51.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.616 ' HG2' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -55.35 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.89 127.35 27.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -20.16 17.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -4.31 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -95.11 -34.47 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 t -138.32 160.71 38.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.8 mm -94.56 110.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.692 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -102.49 119.85 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 39.6 ptt180 -89.24 135.94 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.803 HG22 ' HB3' ' A' ' 78' ' ' GLU . 8.6 t -107.89 120.29 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 mtm -110.07 129.04 55.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 2.7 tttt -122.13 140.72 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.803 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.2 pt-20 -120.68 149.24 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.8 mt -131.3 125.65 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -54.63 159.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 179.45 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -76.76 -11.14 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.8 t70 80.22 -1.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -125.14 8.24 7.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.51 -177.55 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 p -119.37 110.17 37.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.04 -11.15 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tp -94.59 -50.26 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -40.95 98.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.52 -50.36 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -46.75 -63.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.435 ' NH2' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -48.57 -36.76 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.22 48.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.7 t-105 -119.06 129.74 25.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.97 100.8 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.558 1.82 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -45.2 -26.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -45.13 94.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 17.3 mtpt -58.11 -20.13 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.9 -170.62 14.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.4 mm -77.19 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.5 tp -121.42 140.13 52.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.695 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 147.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 12' ' ' LEU . 63.0 m-85 -121.17 117.52 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -107.05 168.12 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.56 132.25 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -176.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 165.34 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -129.62 167.36 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -141.76 125.59 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.559 HH11 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -79.15 114.2 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.453 ' C ' ' NH2' ' A' ' 13' ' ' ARG . 9.1 mm -115.47 91.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 92.6 m-85 -70.3 -46.68 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' TYR . . . 39.14 44.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.76 77.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -179.48 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 tp -87.78 -34.76 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.754 ' HE3' HD21 ' A' ' 49' ' ' LEU . 5.2 mmtp -139.47 88.75 12.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -41.06 -64.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.611 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -68.51 141.13 92.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.99 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.3 p90 -150.85 153.83 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' NZ ' HG21 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -146.78 135.96 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.559 HG22 HH11 ' A' ' 13' ' ' ARG . 39.6 p -101.52 125.09 48.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.534 ' CD1' HD13 ' A' ' 30' ' ' LEU . 4.8 pt -106.09 154.53 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.54 107.03 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.4 tp -111.11 161.37 15.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.643 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -123.88 170.87 10.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -91.18 32.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.76 -45.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' CE2' ' A' ' 38' ' ' PHE . 14.2 m-20 -48.3 172.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.4 p -129.24 -170.27 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -67.71 -47.02 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -28.71 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE2' ' OD2' ' A' ' 34' ' ' ASP . 65.7 t80 -84.46 -56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -33.42 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.2 t -58.33 -60.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.64 -56.58 17.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 mm-40 -42.01 -70.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 45.7 t -38.3 -60.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.536 HD11 ' HD2' ' A' ' 57' ' ' TYR . 39.3 mt -42.0 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.13 -52.08 38.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' HG21 ' A' ' 28' ' ' ILE . 5.7 mmtt -48.05 -53.47 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.03 -25.81 68.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 20.79 5.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.1 mm? -104.29 66.73 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.66 46.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.99 -46.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -47.31 171.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.92 115.71 65.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.07 -24.11 13.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -12.35 60.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -91.07 -39.28 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HD2' HD11 ' A' ' 44' ' ' LEU . 4.4 m-85 -90.16 152.35 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 -176.45 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.8 mm -115.77 106.6 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.704 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.08 123.4 42.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' HE2' ' A' ' 63' ' ' MET . 10.3 ptt180 -89.29 129.87 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.749 HG22 ' HB3' ' A' ' 78' ' ' GLU . 10.6 t -104.49 120.23 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.431 ' HE2' ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -107.9 126.12 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.02 127.71 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.749 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -108.36 153.11 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 mt -131.97 122.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.704 HD13 ' HB2' ' A' ' 60' ' ' ALA . 7.6 mm -52.42 152.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 59' ' ' ILE . 10.7 mt -99.25 159.1 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.36 -44.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.83 27.19 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.669 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -84.09 167.13 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.479 ' O ' HD12 ' A' ' 90' ' ' ILE . 84.7 m -114.36 113.97 45.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.495 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.643 HD23 ' C ' ' A' ' 31' ' ' SER . 15.3 tp -85.63 -62.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.34 -41.96 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.669 HD11 ' CD ' ' A' ' 85' ' ' GLU . 37.9 mt -55.03 -55.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.9 -48.16 83.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -43.56 -45.51 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.56 42.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.567 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.1 t-105 -102.86 131.01 22.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.567 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 117.95 5.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.426 1.751 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -61.92 -26.62 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 6.6 mtpt -64.2 -30.43 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . 124.62 147.74 7.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.465 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -39.68 154.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 5.7 tp -121.98 144.01 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 143.26 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 12' ' ' LEU . 57.5 m-85 -119.13 113.68 21.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -101.74 166.75 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.23 123.41 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.35 5.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 154.43 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -110.69 136.24 50.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -117.03 126.24 52.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.09 118.31 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mm -114.23 95.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.738 ' CE2' HG13 ' A' ' 102' ' ' VAL . 89.0 m-85 -76.59 -44.14 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.98 62.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.2 m-20 -79.59 88.68 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 164.65 -52.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 19' ' ' LEU . 8.3 tp -71.67 -22.89 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.476 ' CD ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -148.84 89.74 4.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.2 7.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.554 1.818 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -58.62 -59.68 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.68 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.4 mp -74.23 142.39 78.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -79.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -136.31 162.04 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -135.33 142.63 45.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -125.37 110.94 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.483 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.3 pt -107.86 151.25 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.34 118.44 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -120.44 158.82 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.539 ' C ' HD23 ' A' ' 88' ' ' LEU . 25.0 m -124.29 158.87 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.429 ' N ' HD23 ' A' ' 88' ' ' LEU . 68.8 p -76.33 67.31 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.07 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.365 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -47.91 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -128.64 -179.17 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -71.6 -39.88 70.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.99 -49.24 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.72 -52.1 54.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.99 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' ALA . 8.4 t -47.93 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.84 -58.88 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -45.59 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -54.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 57' ' ' TYR . 40.1 mt -49.59 -67.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.56 -50.37 42.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 11.5 mmtt -53.57 -42.8 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 1.3 m-85 -72.66 -35.71 67.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' HD13 ' A' ' 49' ' ' LEU . . . 120.73 38.29 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD21 ' CD ' ' A' ' 20' ' ' LYS . 2.3 mm? -122.61 60.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.19 45.02 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -154.3 -46.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.45 173.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.22 117.65 61.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -15.23 57.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -86.45 -38.99 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CD2' HD21 ' A' ' 44' ' ' LEU . 5.9 m-85 -90.94 146.48 23.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.793 ' SG ' HD12 ' A' ' 80' ' ' ILE . 13.8 p -127.85 -179.1 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.4 mm -111.4 99.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.925 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -93.63 120.74 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CD ' HD21 ' A' ' 81' ' ' LEU . 12.6 ptt180 -89.6 130.83 35.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.773 HG22 ' HB3' ' A' ' 78' ' ' GLU . 12.8 t -108.24 122.08 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.52 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -109.65 119.19 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.852 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -124.07 137.64 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.773 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -104.57 157.91 16.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mt -134.96 113.8 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.925 HD13 ' HB2' ' A' ' 60' ' ' ALA . 25.4 mm -49.61 144.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 59' ' ' ILE . 11.3 mt -92.79 152.39 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.74 -40.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -106.14 34.13 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.527 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -87.07 169.14 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.549 ' O ' HD12 ' A' ' 90' ' ' ILE . 7.3 m -111.07 111.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -16.85 19.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 31' ' ' SER . 13.3 tp -85.72 -66.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -50.0 -41.09 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 86' ' ' CYS . 38.0 mt -54.62 -56.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.89 -46.26 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -43.86 -51.49 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -101.96 47.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.59 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.9 t-105 -100.23 131.53 23.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.59 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.02 123.0 7.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.2 p -62.76 -41.72 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.56 -42.03 67.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -54.07 -33.67 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.94 -172.69 19.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -76.53 154.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.01 139.95 53.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.738 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.0 t -147.62 140.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 12' ' ' LEU . 47.9 m-85 -115.21 102.7 10.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -95.2 144.88 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -102.88 119.77 39.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -159.35 -175.45 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.494 ' O ' ' CE ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -123.39 155.22 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.353 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.603 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.92 125.15 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.362 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.68 102.03 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.66 94.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.763 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.8 m-85 -68.72 -44.91 72.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 42.94 44.64 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.11 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' ALA . 23.0 t -172.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.39 -33.01 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -139.29 93.07 10.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -42.87 -61.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.563 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.2 mp -73.01 140.66 80.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 -55.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -159.78 166.67 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.3 mptt -134.69 146.04 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.3 p -126.13 110.85 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 46' ' ' LYS . 5.9 pt -112.32 155.39 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.79 111.31 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 30' ' ' LEU . 1.3 tp -114.84 160.48 19.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.849 ' C ' HD23 ' A' ' 88' ' ' LEU . 3.3 m -123.42 143.91 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.7 ' N ' HD23 ' A' ' 88' ' ' LEU . 76.1 p -38.35 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.9 m -91.71 -96.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' OD1' ' CD2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER 45.9 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -145.1 149.48 35.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.12 -39.23 78.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -39.12 90.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 37.3 t80 -71.13 -51.53 24.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.43 76.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 36' ' ' ALA . 2.9 t -51.84 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -42.81 -56.98 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.7 mm-40 -42.81 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.486 ' OG ' HD22 ' A' ' 105' ' ' LEU . 11.9 t -39.13 -57.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' HD2' ' A' ' 57' ' ' TYR . 23.9 mt -44.65 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -52.5 -52.03 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -50.17 -40.1 45.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.0 m-85 -77.54 -31.67 53.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.3 -3.93 7.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.5 mm? -82.33 58.87 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.58 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -155.05 -45.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.46 172.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.33 115.75 65.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -26.73 10.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -64.65 -12.43 45.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -91.71 -33.39 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HD2' HD11 ' A' ' 44' ' ' LEU . 8.5 m-85 -95.3 139.68 31.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 80' ' ' ILE . 23.8 p -127.12 172.52 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.83 112.43 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 1.009 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -108.13 120.96 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HG3' ' CE ' ' A' ' 63' ' ' MET . 13.0 ptt180 -89.17 133.22 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 78' ' ' GLU . 31.4 t -107.2 113.53 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.558 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 1.2 mtm -109.67 127.36 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.488 HD23 HG22 ' A' ' 100' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.23 120.51 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.726 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -103.8 152.04 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.3 mt -130.35 120.85 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.009 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.5 mm -60.29 160.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.515 HD11 ' HE1' ' A' ' 103' ' ' PHE . 3.3 mt -120.46 158.61 26.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -171.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -102.95 33.28 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -169.86 35.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.804 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.5 OUTLIER -90.33 179.98 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.596 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.9 p -127.46 101.99 23.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.52 21.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.849 HD23 ' C ' ' A' ' 31' ' ' SER . 11.2 tp -85.79 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.13 -47.37 81.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.804 HD11 ' OE1' ' A' ' 85' ' ' GLU . 27.3 mt -46.85 -49.79 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.71 -43.3 84.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -54.41 -30.37 52.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -109.2 34.34 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.602 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -91.48 135.63 27.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.01 -13.53 21.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER 69.43 -61.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -41.66 -47.85 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 22.0 mttt -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' SER . . . 144.31 151.56 5.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.488 HG22 HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -41.27 149.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.4 133.54 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.763 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.4 t -147.95 144.02 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.603 ' CD2' HD11 ' A' ' 12' ' ' LEU . 59.3 m-85 -116.17 108.41 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.3 150.28 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.486 HD22 ' OG ' ' A' ' 43' ' ' SER . 1.1 tp -109.13 117.1 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -167.52 157.43 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.441 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -43.43 160.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -127.83 167.44 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -137.79 125.6 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HA ' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -85.08 105.98 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -103.86 83.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.746 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.6 m-85 -60.41 -47.84 84.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.52 58.37 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.1 65.36 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -165.53 -66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.01 -40.15 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.29 92.08 21.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.23 9.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -51.61 -59.21 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.582 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.7 mp -76.08 140.64 70.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.582 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -46.06 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -166.97 160.22 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -140.1 146.71 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 13' ' ' ARG . 76.8 p -128.6 113.75 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 46' ' ' LYS . 9.2 pt -106.13 159.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.08 107.0 9.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD23 ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -117.32 160.15 21.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 m -124.02 179.4 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -93.79 22.59 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -128.02 -43.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 p -117.37 176.7 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.78 -54.25 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.12 -44.12 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -65.04 -54.41 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.77 55.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 54' ' ' PRO . 43.0 t -45.81 -70.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.29 -53.77 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.74 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -39.4 -50.22 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 57' ' ' TYR . 36.2 mt -52.92 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 25.8 mt-10 -52.55 -52.76 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 28' ' ' ILE . 17.4 mmtt -46.77 -48.9 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.2 -25.0 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 121.93 -7.9 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD12 ' HG2' ' A' ' 52' ' ' GLU . 2.7 mm? -77.27 65.21 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -91.67 41.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -152.31 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG2' HD12 ' A' ' 49' ' ' LEU . 15.8 mm-40 -45.83 169.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.51 121.17 54.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.93 -14.42 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -13.25 59.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 18.3 m-20 -90.13 -14.52 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.623 ' HD2' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -123.0 168.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 80' ' ' ILE . 19.9 p -150.61 -171.45 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.9 mm -112.41 99.78 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.921 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -95.29 119.29 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' CG ' HD21 ' A' ' 81' ' ' LEU . 28.0 ptt180 -88.89 134.3 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 78' ' ' GLU . 17.4 t -110.15 121.03 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 mtm -108.07 120.99 43.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -130.06 138.53 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.805 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.53 155.02 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.23 114.77 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.921 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.3 mm -51.77 149.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 59' ' ' ILE . 4.7 mt -96.26 161.45 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.84 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 165.35 -35.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.38 24.8 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -81.98 177.57 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.47 118.24 21.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.474 ' HG2' HD23 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.93 -37.76 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.39 -55.63 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.01 80.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.442 HD11 ' CD ' ' A' ' 85' ' ' GLU . 48.8 mt -59.57 -49.36 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.46 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 50.7 t80 -52.68 -53.79 42.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -47.96 74.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.9 51.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 73.7 t-105 -121.45 130.98 24.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.0 99.26 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -46.0 -25.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -42.14 96.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.463 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.4 mtpp -55.91 -24.77 39.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.43 -179.61 16.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.1 mm -68.47 154.25 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 12.2 tp -121.84 137.76 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.746 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.1 t -146.55 141.04 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' HD2' HD11 ' A' ' 12' ' ' LEU . 42.5 m-85 -114.47 104.92 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -99.63 150.16 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.07 120.76 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.88 173.97 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -52.87 154.82 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 p -129.61 167.53 17.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.547 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -144.31 122.94 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' CG ' HG22 ' A' ' 27' ' ' THR . 4.1 mtm180 -84.76 109.52 18.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mm -103.86 83.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.616 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 82.9 m-85 -53.99 -48.77 70.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.33 73.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -93.45 44.67 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 48.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.21 -41.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG3' ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.48 86.43 58.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -75.03 168.17 25.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.0 m-20 81.75 -56.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.735 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.8 mp -62.34 142.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.0 -80.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -144.33 152.48 40.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.85 145.96 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.408 HG22 ' CG ' ' A' ' 13' ' ' ARG . 10.7 p -131.3 111.45 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.8 pt -107.6 154.12 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.32 118.03 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.2 tp -120.94 158.93 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.0 m -124.05 171.07 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -85.21 6.82 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.5 p -118.58 -35.89 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -48.96 176.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -127.07 -175.4 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.5 -53.0 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.06 -45.5 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.78 -57.97 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -53.0 -46.07 68.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' CD1' ' A' ' 105' ' ' LEU . 2.6 t -50.24 -69.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -41.97 -48.59 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -57.16 -56.71 18.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 t -48.24 -52.17 22.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 54' ' ' PRO . 29.4 mt -47.6 -68.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' GLY . 20.9 mt-10 -49.42 -59.68 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 3.9 mmtt -40.26 -50.39 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' HG3' ' A' ' 20' ' ' LYS . 2.3 m-85 -68.43 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 123.49 39.02 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.2 mm? -124.29 59.9 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.45 -46.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.39 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 8.2 t30 -114.08 122.44 34.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.03 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -11.98 47.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -89.52 -33.71 16.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 27.2 m-85 -101.62 134.62 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 178.94 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.618 HG12 HG23 ' A' ' 40' ' ' VAL . 29.9 mm -101.95 105.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.11 119.32 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HD3' HD21 ' A' ' 81' ' ' LEU . 15.0 ptt-85 -89.33 130.22 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 78' ' ' GLU . 6.1 t -107.67 120.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.406 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -107.96 125.74 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 124.02 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.774 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.1 pt-20 -95.34 156.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.4 114.19 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.6 mm -50.2 155.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.556 HD21 ' HD3' ' A' ' 61' ' ' ARG . 18.3 mt -106.59 152.99 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.81 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.99 -45.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -92.95 23.12 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.72 179.43 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -132.82 112.24 13.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.598 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -12.02 21.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 tp -91.89 -56.3 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -35.04 73.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 62.4 mt -64.12 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -54.26 -59.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -30.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.61 42.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.1 t-105 -115.61 130.85 24.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.568 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.04 112.68 3.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.0 p -58.11 -20.67 41.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -46.29 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.7 mtpt -50.56 -36.01 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.55 -166.93 25.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.9 OUTLIER -78.47 154.79 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 15.7 tp -122.07 138.39 54.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.616 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.72 142.87 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 70.6 m-85 -119.76 107.94 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -98.76 168.32 10.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.662 ' CD1' HG22 ' A' ' 40' ' ' VAL . 9.3 tp -117.33 101.13 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -130.26 172.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.35 120.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -158.52 133.26 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.01 106.08 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.95 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.732 ' CE2' HG13 ' A' ' 102' ' ' VAL . 98.1 m-85 -57.05 -48.66 77.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.23 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.51 53.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.5 t -178.53 48.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.46 HD11 ' CE1' ' A' ' 57' ' ' TYR . 5.9 tp -170.66 -41.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -136.96 92.88 13.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -42.18 -59.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -79.94 140.27 54.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -129.64 157.1 43.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.1 tptt -132.43 142.37 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.7 p -124.57 111.03 15.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 46' ' ' LYS . 5.4 pt -109.84 155.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.91 108.14 12.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' CD1' HD11 ' A' ' 28' ' ' ILE . 1.1 tp -104.17 159.04 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.621 ' C ' HD23 ' A' ' 88' ' ' LEU . 5.3 m -123.97 143.12 50.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.648 ' N ' HD23 ' A' ' 88' ' ' LEU . 13.6 p -53.96 -22.42 10.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -86.56 -39.72 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -53.61 163.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 61.0 p -126.86 -169.08 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -72.81 -46.65 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.42 -44.61 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -71.88 -53.66 12.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.4 -44.33 65.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.4 t -48.99 -68.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.2 -54.63 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.1 mm-40 -48.69 -68.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' GLU . 32.7 t -38.77 -53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.603 HD11 ' HD2' ' A' ' 57' ' ' TYR . 44.2 mt -48.99 -66.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.61 -53.61 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 28' ' ' ILE . 22.8 mmtt -46.2 -53.01 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 2.3 m-85 -64.64 -26.38 68.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.87 32.21 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.5 65.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -94.94 44.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.02 -46.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -49.68 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.17 122.54 41.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 -25.78 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 4.8 mtmt -66.18 -11.31 48.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.19 -32.34 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.603 ' HD2' HD11 ' A' ' 44' ' ' LEU . 13.1 m-85 -103.22 142.71 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.25 174.69 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.612 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 10.7 mm -102.46 110.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.807 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -103.36 121.85 43.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HD3' HD21 ' A' ' 81' ' ' LEU . 16.5 ptt180 -89.48 127.43 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.4 t -100.05 115.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -111.51 126.93 55.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -132.08 138.73 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.814 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -112.63 160.69 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.3 120.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.807 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.2 mm -54.44 153.84 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' HD3' ' A' ' 61' ' ' ARG . 11.2 mt -102.67 167.31 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.96 -42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -97.28 24.33 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' THR . 0.6 OUTLIER -79.11 -174.29 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.552 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.6 p -134.42 108.52 11.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -28.73 8.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 32' ' ' THR . 16.5 tp -77.53 -60.92 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -51.53 -42.89 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 86' ' ' CYS . 47.9 mt -58.21 -48.55 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -63.27 -43.51 97.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.53 -40.24 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.97 55.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.0 t-105 -116.16 131.46 23.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.573 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 119.09 5.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.7 p -60.86 -34.78 75.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -41.87 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 0.8 OUTLIER -54.59 -31.64 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.58 167.35 11.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -61.67 152.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.0 tp -122.28 135.88 54.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.732 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.4 t -145.82 139.33 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.587 ' HD2' HD11 ' A' ' 12' ' ' LEU . 52.2 m-85 -114.75 111.72 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -100.08 165.44 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -129.73 119.38 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 175.62 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' HD22 ' A' ' 12' ' ' LEU . 8.9 p -124.21 166.99 14.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -146.79 126.51 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 94.98 9.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.0 86.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.667 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 85.3 m-85 -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.651 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . . . 39.47 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.42 67.74 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -171.06 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 19' ' ' LEU . 9.4 tp -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -136.4 92.25 15.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -143.47 -56.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.713 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.6 mp -71.55 142.46 86.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -57.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -161.3 160.62 29.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CD ' HG21 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -131.68 145.48 51.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -126.59 111.3 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.484 HG21 ' HG3' ' A' ' 46' ' ' LYS . 4.7 pt -108.92 153.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 110.38 9.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.48 160.66 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.541 ' C ' HD23 ' A' ' 88' ' ' LEU . 4.9 p -123.83 141.29 52.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.705 ' N ' HD23 ' A' ' 88' ' ' LEU . 11.0 p -45.26 -27.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 33' ' ' THR . 15.1 t -111.15 57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -114.7 169.42 9.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -121.26 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.53 89.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -35.34 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -73.27 -50.81 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.445 HG11 ' O ' ' A' ' 54' ' ' PRO . 2.9 t -44.15 -66.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -56.35 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -47.57 -68.97 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.409 ' OG ' HD22 ' A' ' 105' ' ' LEU . 23.9 t -38.55 -56.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 54' ' ' PRO . 35.7 mt -45.02 -66.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.1 -52.63 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG3' HG21 ' A' ' 28' ' ' ILE . 6.2 mmtt -47.61 -50.05 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.651 ' OH ' ' HB3' ' A' ' 16' ' ' ALA . 3.9 m-85 -65.16 -30.2 71.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.3 6.04 9.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.97 54.25 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -82.81 50.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -45.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.45 170.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.594 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 1.3 t-20 -98.95 127.19 35.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.494 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -2.42 12.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.19 3.36 55.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -108.99 -11.48 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 5.5 m-85 -126.96 142.37 51.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.407 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -128.64 -175.03 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.587 ' O ' HD12 ' A' ' 81' ' ' LEU . 14.7 mm -109.79 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.06 120.95 39.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HD3' HD21 ' A' ' 81' ' ' LEU . 26.2 ptt180 -89.45 134.62 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 78' ' ' GLU . 8.3 t -108.34 114.04 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.411 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.3 mtm -110.56 132.52 54.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.709 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.709 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 123.18 26.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.727 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -85.89 150.38 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -132.95 117.65 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.9 mm -47.99 154.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 59' ' ' ILE . 4.4 mt -101.64 155.55 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.02 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.64 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -109.0 35.26 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.565 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -81.47 -178.47 6.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 9.6 m -129.27 106.23 17.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -29.0 8.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.705 HD23 ' N ' ' A' ' 32' ' ' THR . 22.0 tp -74.07 -53.5 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.565 HD11 ' OE1' ' A' ' 85' ' ' GLU . 57.4 mt -63.42 -48.11 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.83 -48.84 59.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' CD ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -61.27 -49.23 77.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.04 47.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.2 t-105 -116.64 131.92 23.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.596 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.93 126.56 10.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.3 p -67.52 -33.29 74.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -31.94 72.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 4.1 mttt -64.33 -28.14 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.25 177.37 15.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -67.02 150.53 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.82 137.49 54.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -147.17 149.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD2' HD11 ' A' ' 12' ' ' LEU . 61.2 m-85 -119.02 118.18 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -108.89 163.59 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -126.98 120.61 29.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 177.72 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 139.94 58.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.447 ' NH1' ' C ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -168.14 131.93 1.63 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -95.36 128.57 42.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.67 -155.25 7.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 55.1 89.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.759 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -148.66 137.32 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.3 -113.38 4.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.5 t -135.55 -54.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 0.783 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.65 -74.25 1.56 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA3' HD21 ' A' ' 88' ' ' LEU . . . 155.49 166.98 16.36 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -129.38 151.3 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.669 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -139.19 127.22 22.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.72 103.93 16.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.8 mm -95.88 89.69 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.688 ' CE2' HG13 ' A' ' 102' ' ' VAL . 92.4 m-85 -66.54 -46.44 76.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 105' ' ' LEU . . . 40.3 62.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.67 81.39 7.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.29 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.94 -34.3 74.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.6 mmtt -143.96 92.35 6.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -38.92 1.4 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -44.64 -56.88 4.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.3 mp -78.11 142.07 63.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 -82.09 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -130.48 155.52 46.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -126.67 144.54 50.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.7 p -131.69 120.35 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.735 HG22 ' CE ' ' A' ' 46' ' ' LYS . 3.0 pt -122.14 151.27 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.28 108.26 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.3 tp -109.11 160.14 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.766 ' C ' HD23 ' A' ' 88' ' ' LEU . 70.2 m -124.18 168.13 13.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -86.81 50.65 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 17.7 m-20 -41.81 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 p -106.53 -174.41 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.25 -49.73 16.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -43.41 -54.84 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -51.43 -56.36 13.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.35 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 105' ' ' LEU . 3.1 t -44.31 -64.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -46.05 -58.13 3.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -46.6 -62.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.4 t -46.87 -48.19 21.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.692 HD21 ' CD2' ' A' ' 57' ' ' TYR . 13.8 mt -52.96 -66.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -43.7 -49.32 7.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.735 ' CE ' HG22 ' A' ' 28' ' ' ILE . 4.1 mmmt -45.8 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -54.83 -24.41 22.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.71 33.24 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 52' ' ' GLU . 2.1 mm? -109.61 54.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -85.26 47.29 1.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.18 -45.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.0 mm-40 -48.19 165.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.75 114.11 60.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.481 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.1 Cg_endo -75.01 -15.83 20.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.78 -23.61 55.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.66 -42.22 29.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.692 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.5 m-85 -89.05 148.92 23.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.21 -171.6 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' O ' HD12 ' A' ' 81' ' ' LEU . 7.4 mm -112.17 99.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.666 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -90.31 119.11 30.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.547 ' HG2' HD21 ' A' ' 81' ' ' LEU . 28.6 ptt180 -89.21 134.54 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 78' ' ' GLU . 10.6 t -108.33 119.41 57.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtm -112.09 130.69 55.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.709 HD11 ' HA ' ' A' ' 73' ' ' GLU . 1.5 mm? -71.41 153.03 94.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 166.87 28.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -34.39 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.789 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -98.87 68.74 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.475 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -141.14 132.49 26.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.95 71.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -164.49 -54.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.32 -172.86 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.78 147.86 25.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.709 ' HA ' HD11 ' A' ' 64' ' ' LEU . 1.4 mp0 48.27 28.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.64 106.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.18 56.21 2.3 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.34 147.5 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 122.02 39.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.716 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.2 pt-20 -97.26 153.0 18.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.91 117.0 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.666 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 6.7 mm -50.6 155.62 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD21 ' HG2' ' A' ' 61' ' ' ARG . 9.7 mt -103.86 159.08 15.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -79.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.22 -36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -102.25 28.12 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -84.84 -176.37 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 55.4 m -129.62 110.06 17.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.602 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.01 -14.13 21.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.766 HD23 ' C ' ' A' ' 31' ' ' SER . 21.1 tp -93.61 -55.98 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -56.73 -44.71 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.36 -53.53 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.98 -50.18 73.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -41.36 -42.23 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -115.29 52.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 67.6 t-105 -110.87 131.2 22.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 108.017 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 123.81 8.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.5 p -64.71 -32.06 73.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.17 -36.41 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.3 mtpt -64.89 -19.41 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 115.58 165.33 14.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.9 OUTLIER -58.13 155.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 5.0 tp -122.25 132.7 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.688 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -137.02 141.04 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 12' ' ' LEU . 51.0 m-85 -115.99 102.82 9.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -97.35 153.17 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CD1' HG22 ' A' ' 40' ' ' VAL . 5.4 tp -107.18 113.05 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.13 160.67 37.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -51.63 154.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.42 161.42 31.71 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 120.48 6.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.6 92.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.47 165.04 33.34 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.19 40.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 m 56.23 104.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.441 ' OG ' ' NH2' ' A' ' 107' ' ' ARG . 6.3 p -71.77 -57.98 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 58.21 93.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.16 -97.74 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 t -94.55 92.6 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 0.714 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -86.46 128.84 35.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.5 65.08 0.6 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -152.89 159.74 43.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 0.728 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 37.87 -130.27 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.58 -137.8 2.44 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.405 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.616 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -140.23 126.16 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.582 ' C ' HD13 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -86.24 117.59 25.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 13' ' ' ARG . 3.1 mm -114.39 84.27 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.69 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.8 m-85 -58.03 -48.07 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.4 64.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -85.66 80.82 8.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.41 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.97 -37.35 87.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 6.7 mmtt -141.76 94.38 7.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.44 5.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -50.08 -61.75 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.615 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.3 mp -75.69 141.27 72.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -88.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -122.11 160.79 24.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -136.12 144.33 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.554 HG22 ' HG3' ' A' ' 13' ' ' ARG . 30.7 p -131.32 111.48 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.408 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.555 HG21 ' HG3' ' A' ' 46' ' ' LYS . 6.1 pt -108.03 156.42 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -76.16 107.78 8.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.1 tp -110.58 160.07 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.696 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -124.13 175.44 7.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.7 p -92.86 33.39 1.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.22 -45.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.375 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -52.8 174.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.7 p -128.76 -167.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.729 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -59.77 -40.96 89.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -71.53 -52.85 16.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -55.82 -43.37 76.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 36' ' ' ALA . 9.0 t -48.78 -67.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.9 -53.02 3.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' SER . 50.0 mm-40 -52.49 -68.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' GLU . 19.8 t -38.19 -59.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 54' ' ' PRO . 26.9 mt -40.61 -66.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -55.35 -52.97 61.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.24 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HG3' HG21 ' A' ' 28' ' ' ILE . 6.5 mmtt -45.43 -41.27 9.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.1 m-85 -79.22 -31.33 43.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 120.4 37.81 0.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -122.02 56.57 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -89.31 48.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' GLU . 1.3 mtpt -155.77 -45.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 51' ' ' LYS . 19.0 mm-40 -51.53 -176.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.551 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -109.3 123.54 36.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.5 Cg_endo -74.96 -31.0 6.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.557 1.82 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -66.44 -11.99 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.21 -34.2 20.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 42.0 m-85 -98.91 153.81 18.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -137.58 165.88 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 108.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.426 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 18.5 mm -97.6 115.14 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.591 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -104.88 125.55 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HD3' HD21 ' A' ' 81' ' ' LEU . 19.7 ptt180 -89.29 121.07 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.745 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.6 t -98.65 121.64 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.536 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.3 OUTLIER -107.79 121.18 44.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.3 mm? -79.45 147.29 67.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.434 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.04 163.97 34.2 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 84.98 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.551 1.816 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.35 80.68 1.35 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.432 1.083 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -126.83 -175.37 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -105.55 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -104.45 154.94 19.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.611 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 m 43.38 58.35 3.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER 174.46 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 64' ' ' LEU . 17.9 mt-10 57.36 -86.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' ASP . 2.5 mtt180 61.35 78.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.23 -18.98 4.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -67.49 126.58 29.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -128.75 137.68 51.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.745 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.1 pt-20 -113.9 147.8 37.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.5 mt -123.16 127.46 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -56.99 147.43 5.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.611 HD21 ' HD3' ' A' ' 61' ' ' ARG . 6.9 mt -95.39 168.88 10.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 4.3 t0 -55.98 -67.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 1.7 t0 156.13 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -106.13 15.96 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -71.82 174.45 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 3.8 m -116.21 107.22 47.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.574 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -10.71 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.696 HD23 ' C ' ' A' ' 31' ' ' SER . 15.2 tp -94.73 -54.03 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -40.64 95.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.5 mt -56.61 -49.9 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.415 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 15.1 t80 -53.07 -60.61 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -31.69 7.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -103.93 44.44 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.572 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.3 t-105 -115.61 130.76 24.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.94 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.5 p -56.31 -26.91 53.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -64.63 -33.55 76.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 5.1 mtpp -69.13 -17.57 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 117.16 -166.8 12.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.502 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.5 mm -80.73 157.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 10.7 tp -121.89 142.06 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.69 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.7 t -145.99 146.61 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.616 ' CD2' HD11 ' A' ' 12' ' ' LEU . 54.3 m-85 -122.19 104.9 9.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -98.41 160.69 14.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 128.4 52.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.45 174.89 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 163.87 4.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.98 152.21 62.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.49 3.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.25 5.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 t 61.96 75.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.55 -147.47 10.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.8 4.42 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.0 p -104.55 156.88 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.0 t -141.93 127.68 19.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.01 99.67 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.009 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -87.81 162.0 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 131.21 2.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -58.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -61.27 164.26 5.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.21 -111.98 3.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m 57.84 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.005 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.99 -92.88 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.17 -133.91 1.81 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.433 HG22 HD22 ' A' ' 29' ' ' LEU . 22.0 p -129.58 167.52 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.609 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -139.66 127.11 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -85.24 110.9 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.5 mm -108.36 94.88 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -64.37 -46.37 83.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 63.39 49.16 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -68.16 69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER 170.61 -72.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.13 -43.43 66.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -137.56 86.58 18.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.46 18.72 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -62.39 -72.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -55.01 142.22 57.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -172.08 158.86 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 16.1 mmtt -136.62 152.81 50.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.5 p -130.46 132.95 45.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.682 HG22 ' HE2' ' A' ' 46' ' ' LYS . 4.3 pt -129.85 158.53 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD22 HG22 ' A' ' 11' ' ' THR . 1.5 mm? -76.65 104.96 7.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD21 ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -108.54 159.96 16.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -124.05 161.6 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.477 ' CG2' ' NH1' ' A' ' 92' ' ' ARG . 18.9 p -80.31 54.9 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' ASP . 3.8 t -174.99 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' THR . 8.1 m-20 -39.92 158.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 p -100.95 164.06 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -66.11 -18.13 65.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.99 -43.16 68.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -65.38 -41.49 93.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -65.44 -46.64 79.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 36' ' ' ALA . 5.2 t -49.21 -56.39 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -53.16 -60.71 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' CB ' HD13 ' A' ' 28' ' ' ILE . 34.7 mm-40 -44.27 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.425 ' OG ' HD22 ' A' ' 105' ' ' LEU . 46.8 t -42.57 -55.35 3.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.762 HD21 ' HD2' ' A' ' 57' ' ' TYR . 13.9 mt -44.65 -64.36 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 48' ' ' GLY . 19.7 mt-10 -46.49 -53.84 10.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.682 ' HE2' HG22 ' A' ' 28' ' ' ILE . 6.0 mmmt -41.84 -63.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 21.4 m-85 -57.73 -25.55 60.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 115.39 3.05 21.17 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD22 ' CB ' ' A' ' 47' ' ' TYR . 1.2 mm? -79.43 55.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -86.88 46.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -156.17 -46.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 7.6 mm-40 -44.33 165.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.01 113.8 59.39 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.2 Cg_endo -74.99 -8.23 19.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -88.11 -22.43 24.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -80.95 -40.09 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.762 ' HD2' HD21 ' A' ' 44' ' ' LEU . 4.9 m-30 -88.32 158.59 18.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.81 -176.22 4.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.7 mm -109.74 114.96 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -100.54 122.41 43.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' CD ' HD21 ' A' ' 81' ' ' LEU . 24.8 ptt180 -89.48 133.1 34.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.4 t -107.94 117.12 52.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.1 mtm -106.47 122.53 46.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.726 HD11 ' HA ' ' A' ' 73' ' ' GLU . 1.9 mm? -72.32 150.45 91.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.57 24.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -35.56 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.511 1.795 . . . . 0.0 111.053 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.76 -32.01 80.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.1 135.8 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.67 54.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.61 171.48 19.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.641 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.4 p -88.95 82.62 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 t0 178.4 136.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.726 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.45 97.5 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 107.1 17.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 55.18 30.25 54.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -75.54 145.37 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.8 tttt -117.76 139.02 51.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.578 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -116.84 150.67 38.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.7 mt -127.76 127.69 68.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 60' ' ' ALA . 9.4 mm -56.72 156.32 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' A' ' 61' ' ' ARG . 63.1 mt -114.41 166.0 12.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -161.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.52 22.79 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.29 30.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.9 OUTLIER -82.06 168.98 17.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.559 ' O ' HD12 ' A' ' 90' ' ' ILE . 6.5 m -117.34 100.02 52.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -19.58 17.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.53 HD11 ' NE ' ' A' ' 92' ' ' ARG . 7.5 tp -88.69 -62.02 1.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -49.96 -40.28 43.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.559 HD12 ' O ' ' A' ' 86' ' ' CYS . 45.1 mt -57.74 -60.47 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.425 ' HA ' HD22 ' A' ' 101' ' ' LEU . 39.7 t80 -43.19 -54.17 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.946 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.53 ' NE ' HD11 ' A' ' 88' ' ' LEU . 2.2 mpt_? -54.72 -41.29 70.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -100.8 41.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 101' ' ' LEU . 70.9 t-105 -113.45 131.04 23.15 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.566 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 109.85 3.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 95.5 p -52.44 -31.28 33.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -59.83 -43.6 94.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.8 mtpp -55.7 -23.39 28.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.56 167.21 12.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.532 HG22 HD23 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -58.0 154.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.2 tp -121.91 139.95 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.2 t -147.8 151.22 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD2' HD11 ' A' ' 12' ' ' LEU . 74.1 m-85 -125.41 113.76 17.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -107.19 142.04 37.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 40' ' ' VAL . 5.6 tp -90.14 113.23 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 164.43 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.23 177.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.96 73.93 65.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.19 23.17 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.46 38.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.6 m -146.96 145.02 29.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 145.38 -146.23 16.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -20.13 17.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m 53.33 81.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.959 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 18.2 p -93.18 -56.53 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.19 128.56 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 0.751 . . . . 0.0 110.045 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -158.12 120.94 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.52 139.24 1.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -113.18 100.26 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -105.45 165.31 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.045 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.63 -144.28 18.38 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.544 1.152 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 p -160.71 85.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.56 178.25 48.79 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 29' ' ' LEU . . . -156.07 -139.09 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 p -129.63 167.62 17.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.615 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -147.2 122.81 10.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -78.49 115.61 18.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -114.54 85.09 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.7 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 95.7 m-85 -60.15 -47.94 83.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 42.89 49.72 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -73.38 78.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.63 -54.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.67 -34.66 78.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.655 ' HE3' HD21 ' A' ' 49' ' ' LEU . 3.0 mmtt -141.59 91.82 8.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -23.92 13.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -54.92 -56.97 13.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.617 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.6 mp -80.85 141.08 50.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -46.08 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -169.61 156.68 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -141.88 144.22 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.3 p -125.67 118.79 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.608 HG21 ' HG3' ' A' ' 46' ' ' LYS . 7.6 pt -106.4 157.68 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 10' ' ' GLY . 1.7 mm? -75.24 107.33 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.67 159.78 17.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.812 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -124.01 176.33 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 p -96.45 37.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.74 -45.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -48.86 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.498 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 7.3 p -123.84 -172.84 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -73.51 -42.75 61.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -49.9 -48.41 51.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -63.67 -52.18 61.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.83 -40.85 70.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 36' ' ' ALA . 20.0 t -53.1 -66.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.1 -55.44 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.2 mm-40 -45.13 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.481 ' OG ' HD22 ' A' ' 105' ' ' LEU . 44.1 t -38.09 -56.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 57' ' ' TYR . 43.2 mt -46.47 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.12 -50.51 58.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.254 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 28' ' ' ILE . 11.5 mmtt -52.21 -41.85 63.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -75.55 -20.86 58.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.34 3.93 27.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.655 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.2 mm? -89.49 57.57 4.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -153.9 -46.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.47 171.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.89 116.63 66.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 -27.78 9.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -14.7 62.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -87.09 -40.74 14.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.3 m-85 -91.99 152.29 20.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -176.82 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.9 mm -110.27 109.43 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -104.08 121.79 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.871 ' HG2' HD21 ' A' ' 81' ' ' LEU . 27.0 ptt180 -89.73 133.11 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.846 HG22 ' HB3' ' A' ' 78' ' ' GLU . 14.8 t -105.28 118.65 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.9 mtm -111.65 122.25 47.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.47 154.9 93.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.01 170.52 20.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.82 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.12 79.1 1.04 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -135.38 -75.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -167.55 151.44 6.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -122.21 62.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.598 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.62 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -110.7 -173.93 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.05 102.64 11.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 102.0 13.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.0 48.92 18.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HB1' HG12 ' A' ' 62' ' ' VAL . . . -72.61 154.89 40.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.56 118.83 25.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.846 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -103.79 152.12 22.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.2 mt -134.34 117.32 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 60' ' ' ALA . 5.1 mm -50.72 158.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD21 ' HG2' ' A' ' 61' ' ' ARG . 4.7 mt -115.34 -177.63 3.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -75.58 -153.52 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -118.16 13.11 13.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.498 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 2.7 p-10 -146.6 22.35 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.535 ' OE1' HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -74.77 177.52 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.589 ' O ' HD12 ' A' ' 90' ' ' ILE . 39.1 m -133.07 104.09 12.69 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.328 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.517 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.1 Cg_endo -75.02 -13.97 21.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.812 HD23 ' C ' ' A' ' 31' ' ' SER . 9.7 tp -88.66 -62.2 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -52.9 -40.48 63.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 86' ' ' CYS . 44.6 mt -55.97 -63.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.413 ' HA ' HD22 ' A' ' 101' ' ' LEU . 35.2 t80 -41.69 -52.83 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.507 ' HD2' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -54.62 -42.68 71.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.88 45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.0 t-105 -115.98 130.83 24.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 120.38 6.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.7 p -64.96 -21.71 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.24 -34.29 75.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.1 mtpt -66.22 -29.33 69.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.21 -174.67 19.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.8 OUTLIER -75.18 154.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.462 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 8.1 tp -120.64 138.77 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.7 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 1.5 t -147.4 140.44 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.615 ' CD2' HD11 ' A' ' 12' ' ' LEU . 67.6 m-85 -114.9 113.94 24.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -101.31 163.96 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD22 ' OG ' ' A' ' 43' ' ' SER . 2.6 tp -123.31 109.63 14.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 -177.55 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 166.63 7.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.3 154.95 72.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.92 5.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.761 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -57.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.1 p -118.77 97.2 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 63.14 157.59 0.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.93 11.08 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 t -136.09 -58.46 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.4 t -49.63 143.01 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.568 1.168 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -173.86 112.39 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -162.76 133.86 4.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.3 -125.71 3.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -162.06 132.3 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.86 159.36 4.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.54 -133.44 30.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -131.3 166.24 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.19 -77.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.81 171.76 30.45 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -129.51 148.21 51.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.654 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -135.73 132.33 36.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' HG22 ' A' ' 27' ' ' THR . 0.9 OUTLIER -100.4 107.23 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.24 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mm -98.24 83.69 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.676 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.8 m-85 -59.77 -48.76 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 15' ' ' TYR . . . 66.83 -71.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' TYR . 8.0 t70 48.09 38.13 9.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -151.72 -55.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.58 -25.87 61.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.0 mmtt -146.52 96.47 4.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -44.21 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -44.19 -60.23 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.1 mp -75.32 142.07 74.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 -84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.21 156.76 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.48 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -124.1 146.87 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.717 HG22 ' HG2' ' A' ' 13' ' ' ARG . 71.4 p -129.35 113.5 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.725 HG22 ' HE3' ' A' ' 46' ' ' LYS . 4.1 pt -117.33 153.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.54 103.63 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -105.28 159.23 16.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' C ' HD23 ' A' ' 88' ' ' LEU . 5.8 p -124.65 173.81 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.0 p -88.23 40.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -151.16 -44.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.396 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -38.86 157.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 1.4 p -112.89 148.72 34.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -47.26 -25.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -69.51 -43.35 73.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' THR . 7.2 t80 -69.69 -46.6 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.0 -51.92 67.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 36' ' ' ALA . 2.5 t -41.21 -63.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -45.12 -58.79 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.45 -67.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.58 ' OG ' HD22 ' A' ' 105' ' ' LEU . 46.4 t -43.1 -56.43 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.722 HD21 ' HD2' ' A' ' 57' ' ' TYR . 19.5 mt -42.74 -63.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.0 mt-10 -46.01 -54.13 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.725 ' HE3' HG22 ' A' ' 28' ' ' ILE . 2.8 mmmt -42.22 -66.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -55.8 -22.37 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 105.43 28.06 5.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.2 mm? -103.95 54.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -86.53 45.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -154.11 -46.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.76 165.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -90.6 112.67 54.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -15.8 20.59 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -76.65 -19.42 57.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.64 -32.7 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.722 ' HD2' HD21 ' A' ' 44' ' ' LEU . 2.5 m-30 -94.41 149.17 21.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.41 -173.41 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 108.295 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.6 mm -113.03 103.08 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.761 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -97.42 119.9 36.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.626 ' CD ' HD21 ' A' ' 81' ' ' LEU . 19.2 ptt180 -89.08 135.84 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.1 t -105.97 116.62 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.499 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -101.04 115.27 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.52 155.25 91.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.75 19.73 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -43.15 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.547 1.814 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.99 56.57 0.48 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.65 179.35 3.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -84.18 51.08 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 78.25 -62.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -144.47 -46.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 110.038 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -40.61 127.06 2.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -63.17 98.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.32 94.33 9.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.5 49.18 27.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.81 145.32 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 125.82 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.802 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -112.08 154.38 25.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.0 mt -136.67 124.69 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.761 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 10.0 mm -60.38 150.06 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.626 HD21 ' CD ' ' A' ' 61' ' ' ARG . 4.8 mt -105.4 -176.18 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -176.96 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.95 13.74 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -162.64 40.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -94.83 164.92 12.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 60.4 m -106.96 106.68 58.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 108.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.522 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -75.0 -20.55 16.75 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.629 ' HB2' HD23 ' A' ' 12' ' ' LEU . 16.5 tp -86.04 -54.13 4.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -34.67 66.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.444 HD11 ' CD ' ' A' ' 85' ' ' GLU . 71.4 mt -69.96 -48.66 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -49.74 -43.49 47.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.425 ' HD2' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.52 -46.18 87.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -90.87 42.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.583 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.4 t-105 -113.75 130.98 23.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.583 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 120.81 6.22 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.8 p -63.18 -32.35 73.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -35.39 74.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 2.6 mtpt -63.16 -31.21 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 129.08 176.87 14.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.2 mm -65.87 154.62 7.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.46 0.741 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 6.9 tp -122.36 137.71 54.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.676 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.0 t -145.6 142.51 22.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.654 ' CD2' HD11 ' A' ' 12' ' ' LEU . 68.0 m-85 -115.3 111.03 20.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -94.99 168.61 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.58 HD22 ' OG ' ' A' ' 43' ' ' SER . 3.2 tp -125.59 106.36 9.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.67 168.46 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.45 169.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.77 161.92 56.52 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.84 3.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.86 6.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.86 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 165.84 157.17 9.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.81 86.38 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.81 110.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -74.25 81.23 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.51 95.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.65 148.12 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -66.61 142.56 57.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.07 100.39 4.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.0 96.58 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.3 p -179.4 143.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.83 -138.46 13.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.83 -137.23 4.38 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.547 HG22 HD22 ' A' ' 29' ' ' LEU . 24.9 p -129.64 167.35 18.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.345 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -140.26 125.16 18.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' C ' HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -85.16 117.02 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.463 HD13 ' C ' ' A' ' 13' ' ' ARG . 4.0 mm -111.56 80.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.597 ' CE2' HG13 ' A' ' 102' ' ' VAL . 84.1 m-85 -54.62 -48.82 71.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.94 87.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 18' ' ' SER . 27.7 t0 -100.64 64.0 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 162.19 53.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -173.82 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' A' ' 49' ' ' LEU . 7.6 mmtt -143.75 91.86 6.59 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.69 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -44.06 -56.32 4.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.591 HG23 ' HD2' ' A' ' 24' ' ' PRO . 5.0 mp -84.61 140.96 38.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.591 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.94 -76.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -126.23 137.11 53.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.3 p -121.92 117.29 26.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.699 HG22 ' CE ' ' A' ' 46' ' ' LYS . 5.5 pt -117.92 156.65 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 11' ' ' THR . 1.6 mm? -76.43 104.61 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.6 tp -106.84 158.91 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.534 HG22 ' CD2' ' A' ' 88' ' ' LEU . 20.9 p -91.62 47.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.48 -44.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -48.66 173.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 84' ' ' ASP . 6.7 p -120.52 174.51 6.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -67.89 -30.7 70.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.74 -40.03 95.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -69.49 -49.51 54.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.52 -48.08 83.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG22 HD12 ' A' ' 105' ' ' LEU . 2.7 t -42.71 -59.47 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.11 5.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.15 -64.57 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.22 -48.5 9.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 57' ' ' TYR . 21.3 mt -53.87 -67.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.699 ' CE ' HG22 ' A' ' 28' ' ' ILE . 3.9 mmmt -44.9 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -55.53 -23.3 25.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.21 14.49 13.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.1 mm? -89.26 54.89 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -87.48 43.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -150.14 -46.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.55 172.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.15 117.36 65.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.4 Cg_endo -74.97 -11.2 21.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -13.09 55.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.03 -40.99 12.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.756 ' CD2' HD21 ' A' ' 44' ' ' LEU . 4.7 m-85 -91.63 148.05 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.68 -173.91 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.57 ' O ' HD12 ' A' ' 81' ' ' LEU . 15.1 mm -108.78 105.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -97.45 119.66 36.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.357 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' HD3' HD21 ' A' ' 81' ' ' LEU . 12.2 ptt180 -89.21 125.94 35.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.742 HG22 ' HB3' ' A' ' 78' ' ' GLU . 5.7 t -103.64 115.4 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.563 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.1 mtm -105.33 117.57 34.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD21 ' HG2' ' A' ' 73' ' ' GLU . 1.8 mm? -71.79 154.52 92.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.86 32.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 84.59 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 120.12 61.35 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.41 145.72 50.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.93 104.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -47.75 156.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.598 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.95 -59.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.96 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.61 122.1 24.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HG2' HD21 ' A' ' 64' ' ' LEU . 5.7 mt-10 -116.98 84.84 2.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -99.39 -59.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.69 68.75 0.88 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.28 147.98 40.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 0.733 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -127.92 122.16 31.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.742 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -105.34 155.66 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mt -135.61 106.07 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -42.12 154.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 59' ' ' ILE . 1.4 mt -103.4 156.44 17.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.76 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p30 170.74 -39.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' A' ' 35' ' ' THR . 20.3 m-20 -103.62 30.4 5.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -87.77 175.73 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 115.01 29.36 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.284 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.483 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.534 ' CD2' HG22 ' A' ' 32' ' ' THR . 25.3 tp -83.01 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -50.34 -43.05 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.431 HD11 ' CD ' ' A' ' 85' ' ' GLU . 47.4 mt -56.61 -42.92 77.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -71.25 -51.49 24.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.73 -54.48 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.33 49.88 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.58 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.7 t-105 -102.8 130.04 24.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.015 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -75.0 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 53.2 p -66.14 -16.97 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -77.31 -22.17 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 1.1 mttt -76.08 -27.98 57.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.02 179.02 15.56 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.1 mm -66.57 154.31 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.416 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 10.5 tp -122.08 137.83 54.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.597 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -146.26 141.07 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD2' HD11 ' A' ' 12' ' ' LEU . 47.2 m-85 -116.24 105.6 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -101.01 141.62 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -100.0 121.53 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.89 -173.45 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 164.36 26.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.9 161.02 60.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 127.7 10.85 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.78 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.68 120.41 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.11 100.98 0.15 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 57.07 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -178.79 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.8 m -106.69 109.24 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -110.18 134.04 52.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m 63.51 139.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.28 158.0 19.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.415 1.072 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -82.53 144.42 30.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -159.07 124.31 4.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.75 -78.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.23 154.72 45.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.04 -77.94 0.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.56 161.51 10.29 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.651 HG22 HD22 ' A' ' 29' ' ' LEU . 1.2 p -122.6 138.07 54.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -116.4 134.14 55.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG2' HG22 ' A' ' 27' ' ' THR . 2.6 mtt85 -95.53 107.52 19.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.0 mm -106.13 87.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.506 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 87.0 m-85 -63.17 -46.69 85.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 15' ' ' TYR . . . 72.06 -64.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t0 39.95 50.42 2.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -171.3 -58.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 57' ' ' TYR . 7.2 tp -74.65 -25.09 58.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.48 96.48 7.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.539 1.81 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 21' ' ' PRO . 85.9 m-20 63.46 -75.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -39.63 140.97 0.77 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -139.0 150.41 45.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -116.76 141.25 48.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' HG2' ' A' ' 13' ' ' ARG . 80.6 p -125.3 110.58 14.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.496 HG21 ' HG3' ' A' ' 46' ' ' LYS . 3.6 pt -108.38 152.49 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD22 HG22 ' A' ' 11' ' ' THR . 1.3 mm? -73.95 115.48 13.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -119.97 158.82 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.965 ' C ' HD23 ' A' ' 88' ' ' LEU . 66.0 m -124.2 173.8 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -88.2 61.92 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.6 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.8 OUTLIER -38.98 156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 p -105.65 151.6 24.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.42 -37.48 62.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -54.35 48.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.96 -48.6 72.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.35 85.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.487 HG23 HG12 ' A' ' 59' ' ' ILE . 2.5 t -47.86 -58.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.36 -53.77 26.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.4 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.451 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.4 p -40.2 -53.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 57' ' ' TYR . 39.4 mt -48.85 -67.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.55 -50.81 52.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HG3' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -52.17 -46.55 65.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -71.07 -25.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.02 29.38 3.8 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.3 mm? -112.89 59.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -87.68 44.7 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.17 -46.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.11 166.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 116.69 66.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.97 -30.16 7.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -65.35 -14.48 60.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -88.46 -39.97 13.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.59 ' HD2' HD21 ' A' ' 44' ' ' LEU . 3.8 m-30 -91.84 147.28 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.76 -171.78 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.487 HG12 HG23 ' A' ' 40' ' ' VAL . 17.0 mm -113.74 104.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.729 ' HB2' ' CD1' ' A' ' 80' ' ' ILE . . . -96.66 120.18 36.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 16.3 ptt180 -90.78 133.77 34.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.802 HG22 ' HB3' ' A' ' 78' ' ' GLU . 11.8 t -107.44 118.36 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.94 120.26 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.79 156.0 90.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.65 24.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.95 3.22 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 127.83 -49.69 0.91 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.53 112.92 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 0.788 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -85.89 -59.56 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 67.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.557 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.4 p -127.94 78.63 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.36 102.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.44 85.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.22 -53.48 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -90.81 55.44 3.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.22 130.94 57.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -113.5 141.36 47.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.802 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -123.2 150.99 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.9 mt -133.33 124.87 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.729 ' CD1' ' HB2' ' A' ' 60' ' ' ALA . 10.5 mm -58.78 159.43 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.519 HD11 ' HE1' ' A' ' 103' ' ' PHE . 0.7 OUTLIER -118.33 -176.78 3.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.75 -177.72 3.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.28 20.6 11.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.32 36.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.49 -177.61 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.562 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.2 p -129.72 100.27 19.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 108.254 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.02 -28.94 8.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.965 HD23 ' C ' ' A' ' 31' ' ' SER . 14.1 tp -72.14 -63.77 1.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -52.31 -46.3 65.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 86' ' ' CYS . 46.0 mt -53.06 -47.14 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -67.36 -46.89 72.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -46.39 -44.26 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -108.71 48.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.599 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 62.2 t-105 -104.78 131.86 21.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 108.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.599 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.97 132.41 15.43 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -39.96 72.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.44 -37.63 65.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 3.1 mttp -59.09 -30.56 68.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.16 167.55 12.89 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.12 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.7 OUTLIER -59.6 149.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 109.329 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.407 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 1.3 tp -122.71 140.17 53.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 2.0 t -147.85 148.91 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 12' ' ' LEU . 45.7 m-85 -118.44 109.82 16.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -99.32 141.36 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' A' ' 43' ' ' SER . 8.2 tp -94.35 103.36 15.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.97 179.33 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 175.47 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.47 148.13 64.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 18.4 Cg_endo -75.01 140.98 26.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 133.65 16.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -80.24 105.42 11.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.963 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.14 -86.23 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 134.97 18.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -161.68 134.12 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.08 141.93 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.34 97.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -107.69 165.83 11.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.9 -77.32 1.24 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.21 163.32 23.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -159.8 128.22 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.6 -137.23 4.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.66 155.0 10.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.001 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.84 -97.37 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.91 164.26 28.03 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.429 HG22 HD22 ' A' ' 29' ' ' LEU . 1.4 p -124.99 141.19 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -128.57 128.29 43.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.685 ' HG2' HG22 ' A' ' 27' ' ' THR . 5.5 mtt85 -96.34 111.25 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.403 HD13 ' C ' ' A' ' 13' ' ' ARG . 3.7 mm -100.54 84.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.664 ' CE2' HG13 ' A' ' 102' ' ' VAL . 89.2 m-85 -55.19 -48.4 73.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.08 65.65 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -85.32 70.2 10.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.79 -27.87 66.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.629 ' HE3' HD21 ' A' ' 49' ' ' LEU . 9.3 mttt -156.0 95.27 2.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.29 2.11 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -41.65 -62.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.697 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.9 mp -70.77 142.29 88.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.697 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -55.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -158.82 163.48 36.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.09 143.23 51.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.685 HG22 ' HG2' ' A' ' 13' ' ' ARG . 71.3 p -129.25 111.42 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.881 HG22 ' HE2' ' A' ' 46' ' ' LYS . 3.2 pt -117.01 151.54 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD22 HG22 ' A' ' 11' ' ' THR . 1.4 mm? -79.06 106.03 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 39' ' ' ALA . 2.0 tp -101.57 161.93 13.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.86 155.45 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.123 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.446 HG22 ' CD2' ' A' ' 88' ' ' LEU . 79.5 p -79.09 53.75 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.54 -43.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.21 179.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.4 p -125.76 -170.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.776 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -73.65 -28.6 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -59.92 -43.91 94.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -67.14 -52.54 40.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -58.53 -41.12 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 36' ' ' ALA . 4.9 t -51.69 -66.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -46.92 -52.24 14.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' CB ' HD13 ' A' ' 28' ' ' ILE . 2.6 mm-40 -47.87 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 16.6 t -43.8 -56.07 4.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 57' ' ' TYR . 32.5 mt -40.79 -61.55 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -47.84 -52.15 20.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.881 ' HE2' HG22 ' A' ' 28' ' ' ILE . 13.4 mmmt -45.68 -64.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.53 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 21.1 m-85 -55.54 -24.18 30.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.491 ' O ' HD13 ' A' ' 49' ' ' LEU . . . 107.4 45.29 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.629 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.9 mm? -125.41 61.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.5 44.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -45.47 170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.79 118.3 63.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -16.62 20.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 1.9 mmtt -72.93 -5.97 42.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -98.1 -33.9 10.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.654 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.2 m-85 -94.87 135.87 35.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.41 ' SG ' HD12 ' A' ' 80' ' ' ILE . 21.8 p -119.69 -177.13 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.776 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 11.8 mm -117.38 100.02 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.676 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -93.6 124.25 37.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HD3' HD21 ' A' ' 81' ' ' LEU . 10.9 ptt180 -89.21 131.47 35.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.9 t -105.39 115.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.3 mtm -107.89 116.33 31.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.16 154.86 88.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.59 33.04 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.83 59.61 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -41.83 -65.44 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 173.21 9.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 t -68.66 70.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.91 166.19 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.29 103.6 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.88 89.17 3.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.89 -55.24 4.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 55.02 169.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -132.37 118.33 19.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.759 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.65 150.87 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.4 mt -129.86 123.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.4 mm -55.0 155.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 59' ' ' ILE . 12.7 mt -106.85 165.8 11.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.572 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.4 OUTLIER -66.54 -13.65 61.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 8.8 t0 88.35 -39.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.28 8.78 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.501 ' CD ' HD11 ' A' ' 90' ' ' ILE . 1.3 mt-10 -82.44 172.52 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -106.33 112.84 63.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -17.35 19.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.446 ' CD2' HG22 ' A' ' 32' ' ' THR . 39.2 tp -86.35 -65.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.46 -40.81 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 86' ' ' CYS . 48.8 mt -59.77 -49.47 83.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.77 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -96.6 58.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 68.8 t-105 -116.36 131.5 23.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.582 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.04 119.74 5.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.9 p -62.28 -31.03 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.53 -37.98 82.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 3.8 mtpt -59.34 -31.33 69.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.69 -177.96 17.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.532 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.9 OUTLIER -68.74 152.3 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 9.3 tp -122.28 137.13 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.664 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.6 t -147.69 149.95 14.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 12' ' ' LEU . 51.0 m-85 -122.73 118.01 27.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -106.51 156.2 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.93 172.97 7.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.362 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 141.93 57.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -51.99 124.9 30.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.509 ' CD ' HD11 ' A' ' 80' ' ' ILE . 18.1 Cg_endo -75.04 129.46 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 139.67 24.57 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 70.5 m -75.02 82.06 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.79 179.43 40.45 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.21 2.95 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 167.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 m -161.11 81.66 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 110.99 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -102.83 164.11 11.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.19 122.73 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.21 -175.55 30.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.65 125.95 4.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -140.92 141.11 34.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.037 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.38 130.49 10.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.1 t -155.63 -66.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.86 -82.85 0.14 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.25 -139.49 4.59 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.1 p -129.6 167.55 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 110.41 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.564 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -146.88 127.02 13.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -87.02 106.36 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.0 mm -103.65 85.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.646 ' CE2' HG13 ' A' ' 102' ' ' VAL . 96.1 m-85 -56.93 -48.1 79.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.13 50.3 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.082 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -74.41 73.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.5 t -178.0 -42.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -80.3 -36.98 33.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HD3' HD13 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -127.74 90.76 47.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -74.98 170.57 20.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.3 m-20 79.03 -57.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.728 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.7 mp -58.73 142.35 83.89 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.728 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.9 -76.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.769 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -145.48 156.43 43.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.592 ' HE2' HG21 ' A' ' 23' ' ' ILE . 4.7 mptt -127.43 141.39 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.3 p -129.43 111.54 12.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 6.2 pt -105.91 156.05 6.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.08 104.19 5.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.538 HD11 ' CB ' ' A' ' 39' ' ' ALA . 1.4 tp -107.26 159.6 16.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.508 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -124.1 178.21 5.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.147 . . . . 0.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.1 p -88.73 -12.06 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.0 p -97.65 -35.99 10.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -58.68 154.62 14.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 71.5 p -108.63 -163.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.62 -47.17 27.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.41 -57.38 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -54.82 -53.84 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 30' ' ' LEU . . . -54.88 -41.58 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG13 HD11 ' A' ' 105' ' ' LEU . 15.4 t -58.47 -65.71 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.2 -43.01 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.21 -61.05 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' TYR . 17.3 t -43.57 -57.54 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 57' ' ' TYR . 22.6 mt -41.18 -67.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -53.4 -55.0 28.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 4.6 mmtt -47.54 -33.66 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.0 m-85 -84.38 -32.8 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.35 -7.05 7.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -78.13 57.18 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -87.46 44.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -154.24 -45.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.42 178.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.29 123.84 36.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.511 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.01 -27.5 9.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -62.83 -13.88 39.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 107' ' ' ARG . 78.7 m-20 -91.22 -35.81 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.745 ' CD2' HD21 ' A' ' 44' ' ' LEU . 17.4 m-85 -96.01 139.02 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 80' ' ' ILE . 15.0 p -128.4 176.07 8.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.5 mm -103.24 103.68 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.792 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -97.0 119.8 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.664 ' NE ' HD21 ' A' ' 81' ' ' LEU . 16.1 ptt180 -89.05 121.46 31.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 78' ' ' GLU . 2.1 t -106.29 114.45 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.53 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.89 121.02 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 111.035 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.882 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.3 mm? -74.56 150.35 86.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.72 32.77 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -23.97 13.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.449 1.763 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.59 -48.01 38.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.38 -51.64 68.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.804 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER 57.15 45.8 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.438 ' CB ' ' O ' ' A' ' 69' ' ' GLN . 11.0 t-80 83.14 108.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -164.47 -65.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.0 m-20 159.23 94.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.633 ' HA ' ' HB3' ' A' ' 76' ' ' ALA . 31.0 tt0 51.61 -91.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.8 OUTLIER 41.52 68.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ALA . . . 100.52 -30.71 9.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.882 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -39.89 134.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.72 138.57 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.655 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -107.48 159.41 16.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.52 104.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.792 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.9 mm -47.43 146.41 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.795 HD22 ' OE1' ' A' ' 85' ' ' GLU . 9.8 mt -107.89 167.2 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.89 -159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -111.09 20.35 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.82 23.7 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.795 ' OE1' HD22 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -84.47 160.14 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.408 ' O ' HD12 ' A' ' 90' ' ' ILE . 60.3 m -113.14 112.07 49.97 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.487 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.92 -27.19 10.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD23 ' C ' ' A' ' 31' ' ' SER . 5.2 tp -76.86 -59.44 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -50.97 -42.74 60.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.693 HD11 ' OE2' ' A' ' 85' ' ' GLU . 45.7 mt -56.49 -57.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -56.27 -46.62 79.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -45.75 -43.88 13.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -108.51 49.18 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.5 t-105 -107.77 131.06 22.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.99 124.84 8.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.6 p -69.56 -29.08 66.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -26.86 67.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -68.3 -37.66 80.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.65 -170.37 24.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.3 mm -79.46 155.03 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.9 tp -122.18 140.54 52.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.646 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.5 t -146.54 138.98 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 12' ' ' LEU . 39.4 m-85 -115.68 102.6 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -96.96 150.67 20.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.518 HD11 HG13 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -113.48 117.11 30.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.91 155.44 18.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -45.0 145.44 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 128.57 92.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 18.4 Cg_endo -74.92 128.28 11.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.94 -33.19 4.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.99 66.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.97 161.01 8.83 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.59 36.88 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -111.18 136.83 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.6 t -78.19 145.85 35.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -134.65 138.18 44.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.91 161.39 40.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.16 64.07 4.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.45 139.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.779 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 m -68.5 -54.23 18.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.4 98.62 2.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.3 p -96.32 139.96 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.057 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.04 -95.43 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.37 -137.83 6.66 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.549 HG22 HD22 ' A' ' 29' ' ' LEU . 26.2 p -129.54 167.53 17.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.649 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -139.17 127.51 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' CD2' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -85.52 113.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.09 85.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' CE2' HG11 ' A' ' 102' ' ' VAL . 25.7 m-85 -49.92 -49.06 51.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 59.63 74.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.48 -56.01 8.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.65 68.56 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 57' ' ' TYR . 1.9 tp 177.87 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HE3' HD21 ' A' ' 49' ' ' LEU . 15.8 mmtt -140.79 86.04 12.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.1 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -41.62 -45.41 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.8 mt -71.71 139.87 83.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.96 -54.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CD2' ' HD3' ' A' ' 13' ' ' ARG . 8.7 p90 -167.81 164.23 14.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 33.5 mmtt -138.71 146.24 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 p -124.82 113.9 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 30' ' ' LEU . 5.2 pt -108.63 157.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD22 HG22 ' A' ' 11' ' ' THR . 1.6 mm? -78.19 104.75 8.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.528 HD13 HD11 ' A' ' 28' ' ' ILE . 1.6 tp -109.05 162.54 14.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.763 ' C ' HD23 ' A' ' 88' ' ' LEU . 1.2 t -123.56 -176.06 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -101.79 2.22 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 p -113.76 -23.0 9.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.482 ' CG ' ' CD2' ' A' ' 38' ' ' PHE . 19.6 m-20 -62.35 177.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -130.9 169.14 16.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -55.19 -38.84 68.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -57.48 -52.64 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.482 ' CD2' ' CG ' ' A' ' 34' ' ' ASP . 85.4 t80 -58.75 -49.62 76.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 30' ' ' LEU . . . -56.77 -45.09 82.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' ALA . 9.2 t -51.41 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -42.53 -53.77 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.6 -64.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -43.51 -58.17 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD21 ' CD2' ' A' ' 57' ' ' TYR . 38.3 mt -43.83 -68.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' GLY . 21.5 mt-10 -49.71 -56.54 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 7.3 mmmt -45.58 -48.44 14.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 1.4 m-85 -68.89 -26.75 65.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.49 26.93 3.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.7 mm? -112.48 62.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.47 44.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -153.07 -46.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -47.96 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -101.53 116.63 63.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.06 -9.52 20.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -81.01 -11.28 59.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.46 -37.75 12.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.791 ' CD2' HD21 ' A' ' 44' ' ' LEU . 10.9 m-85 -91.27 145.16 24.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.623 ' SG ' HD12 ' A' ' 80' ' ' ILE . 13.9 p -132.57 171.95 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 108.364 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.7 mm -100.26 112.92 34.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.752 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -107.16 121.95 45.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.507 ' CD ' HD21 ' A' ' 81' ' ' LEU . 29.3 ptt180 -89.29 127.66 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.672 HG13 ' HB3' ' A' ' 78' ' ' GLU . 1.7 t -108.58 120.32 59.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.44 122.28 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.551 HD23 HG22 ' A' ' 100' ' ' ILE . 1.2 mm? -75.14 153.04 86.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.34 22.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -32.3 5.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.33 56.05 1.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -117.66 -61.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 46.71 84.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 99.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.586 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' GLU . 70.7 m -165.56 143.16 5.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -65.52 76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' HA ' HD11 ' A' ' 64' ' ' LEU . 2.3 mm-40 43.34 68.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 89.97 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.6 47.99 81.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.537 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -84.76 135.69 34.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -114.18 138.13 50.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.672 ' HB3' HG13 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -118.83 155.41 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.5 mt -129.53 115.57 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.363 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.752 HD13 ' HB2' ' A' ' 60' ' ' ALA . 5.6 mm -51.59 148.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD21 ' CD ' ' A' ' 61' ' ' ARG . 21.6 mt -106.96 167.24 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -168.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.21 30.19 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -162.93 29.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.823 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -93.77 166.42 12.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.512 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.5 p -123.09 109.49 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 108.34 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.546 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.2 Cg_endo -75.02 -16.72 20.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.763 HD23 ' C ' ' A' ' 31' ' ' SER . 5.3 tp -83.46 -58.77 2.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -55.01 -41.53 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.823 HD11 ' OE1' ' A' ' 85' ' ' GLU . 42.8 mt -55.72 -47.99 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -67.03 -47.33 71.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -46.13 -34.72 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -119.49 54.53 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 64.0 t-105 -117.0 131.84 23.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.584 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.05 127.59 10.77 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.1 p -67.06 -39.47 86.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -34.32 62.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.5 mtpt -63.65 -27.07 68.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.68 174.18 13.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.551 HG22 HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -65.9 153.67 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.8 tp -122.0 141.67 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 15' ' ' TYR . 1.9 t -147.39 157.24 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.649 ' CD2' HD11 ' A' ' 12' ' ' LEU . 67.6 m-85 -131.49 107.59 8.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -97.24 145.91 25.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.332 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.12 130.38 55.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.24 173.51 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.34 146.82 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.51 116.69 30.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.14 9.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -40.95 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.6 74.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.49 -169.18 14.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.22 27.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -99.61 141.11 32.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.31 -58.53 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.76 -58.45 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.751 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -55.04 145.63 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.02 111.31 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.07 -60.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -173.74 135.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.039 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.55 -164.02 10.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.17 96.45 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.52 -156.09 11.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.74 -135.79 1.9 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.9 p -129.63 167.64 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -143.79 121.38 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' HG22 ' A' ' 27' ' ' THR . 5.4 mtt-85 -84.09 115.08 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.431 HD13 ' C ' ' A' ' 13' ' ' ARG . 4.0 mm -110.54 82.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 91.6 m-85 -53.82 -48.96 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.35 53.99 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -79.04 74.6 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 p -177.04 -58.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -58.85 -37.71 77.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -129.38 86.12 57.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 49.02 2.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.66 -51.82 0.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.569 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.1 mp -80.98 140.76 50.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.566 1.824 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -167.96 158.13 10.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -141.16 145.68 36.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.435 HG22 ' CG ' ' A' ' 13' ' ' ARG . 58.5 p -126.61 137.51 53.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.792 HG22 ' HE2' ' A' ' 46' ' ' LYS . 3.6 pt -129.12 156.68 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.45 107.08 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -113.84 158.61 20.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.591 ' C ' HD23 ' A' ' 88' ' ' LEU . 54.8 p -124.17 -178.32 4.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 p -93.11 18.63 9.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.9 OUTLIER -128.19 -43.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' THR . 29.8 m-20 -45.2 168.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -118.93 -177.48 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -73.82 -37.82 64.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -56.36 -48.61 76.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -56.82 -51.27 69.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.51 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.62 -50.73 72.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 59' ' ' ILE . 2.7 t -40.28 -60.14 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.33 -59.07 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.49 -61.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.451 ' OG ' HD22 ' A' ' 105' ' ' LEU . 30.5 t -45.08 -49.26 11.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 HD11 ' HD2' ' A' ' 57' ' ' TYR . 41.0 mt -52.99 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -44.35 -50.25 9.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.792 ' HE2' HG22 ' A' ' 28' ' ' ILE . 8.8 mmmt -44.0 -66.76 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.2 m-85 -54.24 -25.11 21.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.36 28.39 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.557 HD12 ' HG3' ' A' ' 52' ' ' GLU . 2.1 mm? -104.93 56.44 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.78 47.67 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -155.92 -45.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.5 mm-40 -47.74 170.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.49 116.23 66.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.96 -28.07 9.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -22.48 66.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.51 -41.99 30.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.463 ' HD2' HD11 ' A' ' 44' ' ' LEU . 5.6 m-85 -89.75 151.75 21.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 178.59 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.55 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 33.2 mm -99.69 106.34 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.719 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.26 120.73 39.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.461 ' CD ' HD21 ' A' ' 81' ' ' LEU . 16.9 ptt180 -90.14 131.17 36.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.771 HG22 ' HB3' ' A' ' 78' ' ' GLU . 16.6 t -103.83 118.24 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.6 mtm -112.85 127.05 56.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' A' ' 73' ' ' GLU . 1.8 mm? -72.28 148.43 91.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.4 18.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -33.52 4.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -109.62 71.2 0.2 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.66 -61.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 72.85 167.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.9 m170 66.06 -172.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.555 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.0 86.7 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -176.22 37.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.768 ' HA ' HD11 ' A' ' 64' ' ' LEU . 35.5 mt-10 45.82 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.58 111.35 23.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 39.7 57.55 2.34 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -85.23 149.31 25.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 3.1 ttpt -123.39 138.52 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.771 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -114.46 156.95 23.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.9 mt -135.11 123.2 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.719 HD13 ' HB2' ' A' ' 60' ' ' ALA . 8.4 mm -56.24 153.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 59' ' ' ILE . 6.5 mt -102.17 161.48 13.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -48.9 -72.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER 159.86 -33.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.46 23.5 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -85.91 176.64 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.555 ' O ' HD12 ' A' ' 90' ' ' ILE . 63.7 m -125.34 118.71 24.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.2 Cg_endo -75.03 -30.08 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.591 HD23 ' C ' ' A' ' 31' ' ' SER . 19.3 tp -70.43 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -50.96 -43.27 60.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 86' ' ' CYS . 50.3 mt -58.38 -42.45 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -70.01 -40.79 75.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.89 -43.08 76.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -107.5 53.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.3 t-105 -114.33 131.58 23.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 108.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.03 126.28 9.85 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 86.2 p -66.22 -40.92 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -38.15 57.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 4.4 mtpt -58.95 -35.17 72.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.9 173.87 13.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.9 OUTLIER -64.18 152.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB2' ' NE1' ' A' ' 94' ' ' TRP . 5.5 tp -122.24 136.48 54.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.609 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.1 t -147.62 142.6 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.529 ' HD2' HD11 ' A' ' 12' ' ' LEU . 68.5 m-85 -113.97 110.39 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -97.56 165.28 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.451 HD22 ' OG ' ' A' ' 43' ' ' SER . 15.4 tp -113.41 104.19 12.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.62 169.54 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.27 170.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.98 77.3 30.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.9 6.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m 65.02 85.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 157.98 87.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.14 40.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 t -131.77 -57.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 94.9 p -92.54 130.01 38.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.91 144.19 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -130.48 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.53 -143.35 1.45 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.81 154.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.49 100.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.32 -119.08 0.91 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.051 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.25 140.28 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.6 -92.07 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.35 170.13 28.87 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -129.27 143.16 50.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.771 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -120.06 128.87 53.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.57 104.27 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.9 mm -95.88 80.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.671 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 83.8 m-85 -52.72 -49.43 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.669 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . . . 52.42 100.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.3 -48.51 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.1 t -85.6 53.71 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 106' ' ' LYS . 2.1 tp -174.2 -43.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.862 ' HD2' HD13 ' A' ' 23' ' ' ILE . 26.4 mmtt -129.59 87.87 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -55.27 -69.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.862 HD13 ' HD2' ' A' ' 20' ' ' LYS . 4.6 mp -58.13 140.97 82.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.605 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.95 -62.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -156.03 162.5 40.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD3' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -127.35 147.62 50.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.8 p -127.53 116.19 19.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.415 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.745 HG22 ' HG2' ' A' ' 46' ' ' LYS . 6.7 pt -118.37 156.78 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -79.24 112.35 16.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -115.78 159.75 21.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.899 ' C ' HD23 ' A' ' 88' ' ' LEU . 15.5 p -124.02 178.41 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -91.45 29.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.22 -45.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -42.41 163.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 p -116.7 179.12 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.56 98.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.97 -48.54 67.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.43 -51.07 71.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -59.24 -50.87 72.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.428 HG12 ' HB3' ' A' ' 54' ' ' PRO . 24.2 t -47.23 -58.51 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.09 -54.44 13.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 m -43.02 -57.57 2.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CA ' ' HB2' ' A' ' 49' ' ' LEU . 18.4 mt -40.11 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.1 mt-10 -43.53 -56.67 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.745 ' HG2' HG22 ' A' ' 28' ' ' ILE . 9.9 mptt -42.89 -67.12 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.669 ' OH ' ' HB3' ' A' ' 16' ' ' ALA . 6.2 m-85 -51.47 -22.92 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 110.94 19.29 7.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD21 ' HE3' ' A' ' 20' ' ' LYS . 1.9 mm? -93.97 56.14 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -89.46 45.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -151.64 -46.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -60.54 170.74 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.495 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 9.4 t30 -102.77 136.02 19.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HB3' HG12 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 -0.57 10.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -10.25 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.6 -9.11 39.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 8.2 m-85 -128.51 156.63 42.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -139.54 173.74 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.594 ' O ' HD12 ' A' ' 81' ' ' LEU . 13.5 mm -102.45 111.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.662 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -100.16 119.43 38.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.668 ' HD3' HD21 ' A' ' 81' ' ' LEU . 21.8 ptt180 -89.12 132.81 34.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.833 HG22 ' HB3' ' A' ' 78' ' ' GLU . 13.7 t -107.35 115.08 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.7 mtm -109.28 138.61 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.01 153.11 92.84 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.52 33.2 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 74.05 4.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.6 50.65 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.36 -52.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 58.62 172.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -63.54 116.33 5.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.6 -58.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.04 106.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.36 96.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -92.15 97.14 10.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 44.01 53.81 6.33 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.76 172.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.75 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -132.43 118.12 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.833 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.4 pt-20 -105.25 150.04 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.3 mt -133.03 118.85 34.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.662 HD13 ' HB2' ' A' ' 60' ' ' ALA . 7.0 mm -52.24 152.16 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.668 HD21 ' HD3' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -99.48 161.59 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 172.1 -43.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.99 27.53 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.532 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -84.08 175.33 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 88.1 m -125.6 109.5 25.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.497 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -21.5 15.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.899 HD23 ' C ' ' A' ' 31' ' ' SER . 28.3 tp -84.6 -51.29 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -61.86 -40.64 96.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.532 HD11 ' OE1' ' A' ' 85' ' ' GLU . 52.0 mt -61.08 -47.56 93.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.41 ' HA ' HD22 ' A' ' 101' ' ' LEU . 29.6 t80 -52.4 -49.84 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -42.79 92.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -97.89 42.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.229 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -112.91 131.61 22.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 108.042 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.96 129.53 12.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.1 p -68.86 -36.73 78.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -55.02 -38.05 67.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 5.4 mtpt -60.22 -35.06 74.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.14 175.18 13.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.7 OUTLIER -64.8 154.51 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 6.4 tp -122.04 136.65 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.74 141.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.771 ' CD2' HD11 ' A' ' 12' ' ' LEU . 77.2 m-85 -113.4 118.42 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.03 132.6 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.47 107.77 16.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HA ' HD13 ' A' ' 19' ' ' LEU . 11.2 ptmt -138.13 171.63 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 161.89 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.56 115.3 58.76 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.54 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 138.64 23.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.8 m -100.94 89.86 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.98 -151.11 5.6 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 60.48 5.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 115' ' ' SER . 8.1 m 49.37 82.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER 79.84 112.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -134.09 91.5 2.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -111.05 115.22 29.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.48 -176.91 38.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.042 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -120.56 125.72 48.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -92.28 165.49 13.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.23 -159.78 25.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.22 -59.41 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.82 -171.84 40.66 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.02 -134.21 1.61 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -129.37 167.51 17.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -144.26 124.7 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.89 112.81 18.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.27 88.59 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.695 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 87.9 m-85 -66.38 -46.8 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 44.14 59.14 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.2 t70 -82.03 82.12 7.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER 167.04 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.34 -18.23 65.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HE3' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -162.02 91.92 1.37 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.23 5.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.494 1.786 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -52.48 -46.43 66.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.4 mp -86.26 140.78 34.49 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 -73.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -141.72 156.43 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HG3' ' CE1' ' A' ' 47' ' ' TYR . 19.8 mmtt -128.0 143.07 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.7 p -129.62 111.35 12.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.559 HG21 ' HG3' ' A' ' 46' ' ' LYS . 12.8 pt -112.11 160.65 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.66 115.67 21.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.74 159.09 20.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -124.15 153.39 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.435 HG21 ' NH2' ' A' ' 92' ' ' ARG . 4.3 p -75.16 56.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -164.63 -46.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -54.94 155.66 4.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.7 p -107.57 -178.91 3.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.52 -48.13 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' ALA . 54.3 t0 -40.13 -52.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -59.79 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.54 -45.59 56.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 36' ' ' ALA . 52.3 t -50.32 -69.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.11 -48.73 6.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 4.3 mm-40 -54.4 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 4.2 p -37.84 -59.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.616 HD22 ' HG2' ' A' ' 52' ' ' GLU . 17.7 mt -40.43 -68.12 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLY . 24.8 mt-10 -52.69 -54.18 37.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.559 ' HG3' HG21 ' A' ' 28' ' ' ILE . 32.1 mmtt -46.17 -42.39 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 26' ' ' LYS . 3.8 m-85 -77.14 -25.2 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 114.51 22.6 5.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.54 HD21 ' HE3' ' A' ' 20' ' ' LYS . 3.1 mm? -103.16 67.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -99.49 56.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -157.62 -51.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.616 ' HG2' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -55.35 -179.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.89 127.35 27.27 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -75.0 -20.16 17.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.55 -4.31 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -95.11 -34.47 12.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.9 t -138.32 160.71 38.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.8 mm -94.56 110.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.692 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -102.49 119.85 39.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 39.6 ptt180 -89.24 135.94 33.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.803 HG22 ' HB3' ' A' ' 78' ' ' GLU . 8.6 t -107.89 120.29 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.0 mtm -110.07 129.04 55.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -71.19 153.43 94.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.17 31.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.82 17.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.32 -50.26 17.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.02 179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -102.18 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.343 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.405 ' CD2' HG12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER 179.6 -64.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m -75.77 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 60.02 112.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' HA ' HD11 ' A' ' 64' ' ' LEU . 2.4 mp0 -72.35 88.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -97.44 101.52 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.07 45.53 95.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.24 140.31 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 2.7 tttt -122.13 140.72 52.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.803 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.2 pt-20 -120.68 149.24 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 11.8 mt -131.3 125.65 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.8 mm -54.63 159.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mt -108.44 179.45 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -76.76 -11.14 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 82' ' ' ASP . 3.8 t70 80.22 -1.8 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -125.14 8.24 7.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.51 -177.55 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 p -119.37 110.17 37.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.04 -11.15 21.4 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tp -94.59 -50.26 5.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -40.95 98.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.52 -50.36 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -46.75 -63.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.435 ' NH2' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -48.57 -36.76 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.22 48.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.7 t-105 -119.06 129.74 25.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 107.991 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.564 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.4 Cg_endo -74.97 100.8 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.558 1.82 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -45.2 -26.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.43 -45.13 94.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 17.3 mtpt -58.11 -20.13 37.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.9 -170.62 14.98 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.4 mm -77.19 156.1 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.5 tp -121.42 140.13 52.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.695 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 147.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.619 ' CD2' HD11 ' A' ' 12' ' ' LEU . 63.0 m-85 -121.17 117.52 27.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -107.05 168.12 9.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.56 132.25 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -176.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.08 165.34 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' CD ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -130.56 154.42 81.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.78 6.79 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.7 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.807 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.4 p 179.86 89.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.64 100.48 1.44 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.14 36.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.33 136.83 45.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.76 128.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 p -171.74 153.57 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.47 161.27 30.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.0 150.08 5.99 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -151.91 -58.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.055 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t -146.84 116.54 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.062 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 142.68 46.32 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 t -131.63 -55.6 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 0.752 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.01 -92.77 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.77 -134.75 3.23 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -129.62 167.36 18.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -141.76 125.59 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.559 HH11 HG22 ' A' ' 27' ' ' THR . 0.0 OUTLIER -79.15 114.2 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.453 ' C ' ' NH2' ' A' ' 13' ' ' ARG . 9.1 mm -115.47 91.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.614 ' CD1' ' CG1' ' A' ' 102' ' ' VAL . 92.6 m-85 -70.3 -46.68 63.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' TYR . . . 39.14 44.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.76 77.64 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -179.48 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 tp -87.78 -34.76 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.754 ' HE3' HD21 ' A' ' 49' ' ' LEU . 5.2 mmtp -139.47 88.75 12.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -41.06 -64.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.611 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -68.51 141.13 92.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.99 -78.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.3 p90 -150.85 153.83 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' NZ ' HG21 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -146.78 135.96 22.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.559 HG22 HH11 ' A' ' 13' ' ' ARG . 39.6 p -101.52 125.09 48.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.534 ' CD1' HD13 ' A' ' 30' ' ' LEU . 4.8 pt -106.09 154.53 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -77.54 107.03 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 28' ' ' ILE . 1.4 tp -111.11 161.37 15.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.643 ' C ' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -123.88 170.87 10.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.7 p -91.18 32.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.76 -45.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' CE2' ' A' ' 38' ' ' PHE . 14.2 m-20 -48.3 172.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.4 p -129.24 -170.27 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -67.71 -47.02 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -28.71 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE2' ' OD2' ' A' ' 34' ' ' ASP . 65.7 t80 -84.46 -56.05 3.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -33.42 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.2 t -58.33 -60.99 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.64 -56.58 17.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 mm-40 -42.01 -70.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' GLU . 45.7 t -38.3 -60.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.536 HD11 ' HD2' ' A' ' 57' ' ' TYR . 39.3 mt -42.0 -67.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.13 -52.08 38.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' HG21 ' A' ' 28' ' ' ILE . 5.7 mmtt -48.05 -53.47 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.03 -25.81 68.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.42 20.79 5.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD21 ' HE3' ' A' ' 20' ' ' LYS . 2.1 mm? -104.29 66.73 0.82 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.66 46.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -153.99 -46.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -47.31 171.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.92 115.71 65.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.1 Cg_endo -75.07 -24.11 13.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.86 -12.35 60.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -91.07 -39.28 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' HD2' HD11 ' A' ' 44' ' ' LEU . 4.4 m-85 -90.16 152.35 21.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 -176.45 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.8 mm -115.77 106.6 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.704 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.08 123.4 42.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' O ' ' HE2' ' A' ' 63' ' ' MET . 10.3 ptt180 -89.29 129.87 35.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.749 HG22 ' HB3' ' A' ' 78' ' ' GLU . 10.6 t -104.49 120.23 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.431 ' HE2' ' O ' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -107.9 126.12 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.04 156.18 86.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.34 35.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.533 1.807 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -15.96 20.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.64 60.17 0.33 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.75 166.66 32.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 175.54 133.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 77.06 -179.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m 58.22 164.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.065 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.24 -175.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 73' ' ' GLU . 6.0 mp0 -95.11 107.72 19.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -123.17 -42.39 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.15 60.89 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -128.05 152.82 47.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.02 127.71 55.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.749 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -108.36 153.11 23.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 mt -131.97 122.86 50.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.704 HD13 ' HB2' ' A' ' 60' ' ' ALA . 7.6 mm -52.42 152.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 59' ' ' ILE . 10.7 mt -99.25 159.1 15.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 166.36 -44.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.83 27.19 5.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.669 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -84.09 167.13 17.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.479 ' O ' HD12 ' A' ' 90' ' ' ILE . 84.7 m -114.36 113.97 45.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.495 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.3 Cg_endo -74.98 -19.16 18.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.643 HD23 ' C ' ' A' ' 31' ' ' SER . 15.3 tp -85.63 -62.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -52.34 -41.96 63.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.669 HD11 ' CD ' ' A' ' 85' ' ' GLU . 37.9 mt -55.03 -55.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -60.9 -48.16 83.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -43.56 -45.51 6.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.56 42.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.567 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 70.1 t-105 -102.86 131.01 22.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.567 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.01 117.95 5.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.426 1.751 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.2 p -61.92 -26.62 68.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -33.99 77.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 6.6 mtpt -64.2 -30.43 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 100' ' ' ILE . . . 124.62 147.74 7.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.465 ' HA ' HD12 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -39.68 154.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.349 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 5.7 tp -121.98 144.01 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' CG1' ' CD1' ' A' ' 15' ' ' TYR . 2.0 t -147.58 143.26 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD2' HD11 ' A' ' 12' ' ' LEU . 57.5 m-85 -119.13 113.68 21.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -101.74 166.75 10.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.23 123.41 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.67 176.35 5.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 154.43 33.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.5 158.63 44.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.53 7.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.546 1.814 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -65.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 t -167.38 80.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.29 -148.57 22.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.58 21.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.1 p -134.53 -62.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.71 125.77 10.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 p -135.94 -57.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -129.56 157.8 41.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.9 -175.8 38.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.145 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -171.91 122.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -109.95 163.28 13.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.55 152.74 19.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t 58.1 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.37 -99.44 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.21 153.56 9.05 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -110.69 136.24 50.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -117.03 126.24 52.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.09 118.31 27.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mm -114.23 95.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.738 ' CE2' HG13 ' A' ' 102' ' ' VAL . 89.0 m-85 -76.59 -44.14 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.98 62.02 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.2 m-20 -79.59 88.68 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER 164.65 -52.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 19' ' ' LEU . 8.3 tp -71.67 -22.89 61.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' CD ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -148.84 89.74 4.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.2 7.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.554 1.818 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -58.62 -59.68 5.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.68 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.4 mp -74.23 142.39 78.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -79.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -136.31 162.04 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -135.33 142.63 45.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -125.37 110.94 14.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.483 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 3.3 pt -107.86 151.25 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -75.34 118.44 18.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -120.44 158.82 26.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.539 ' C ' HD23 ' A' ' 88' ' ' LEU . 25.0 m -124.29 158.87 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.429 ' N ' HD23 ' A' ' 88' ' ' LEU . 68.8 p -76.33 67.31 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -179.07 -36.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.365 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -47.91 174.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.6 p -128.64 -179.17 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -71.6 -39.88 70.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.99 -49.24 71.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -65.72 -52.1 54.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 111.049 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.7 -45.99 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 36' ' ' ALA . 8.4 t -47.93 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.84 -58.88 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -45.59 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -54.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 57' ' ' TYR . 40.1 mt -49.59 -67.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.56 -50.37 42.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 11.5 mmtt -53.57 -42.8 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 1.3 m-85 -72.66 -35.71 67.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 111.062 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' HD13 ' A' ' 49' ' ' LEU . . . 120.73 38.29 0.67 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD21 ' CD ' ' A' ' 20' ' ' LYS . 2.3 mm? -122.61 60.4 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -88.19 45.02 1.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -154.3 -46.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.45 173.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.22 117.65 61.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.03 -31.61 6.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -15.23 57.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -86.45 -38.99 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CD2' HD21 ' A' ' 44' ' ' LEU . 5.9 m-85 -90.94 146.48 23.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.793 ' SG ' HD12 ' A' ' 80' ' ' ILE . 13.8 p -127.85 -179.1 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.4 mm -111.4 99.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.925 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -93.63 120.74 34.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CD ' HD21 ' A' ' 81' ' ' LEU . 12.6 ptt180 -89.6 130.83 35.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.773 HG22 ' HB3' ' A' ' 78' ' ' GLU . 12.8 t -108.24 122.08 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.52 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -109.65 119.19 38.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.4 mm? -74.73 154.59 87.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.651 ' HG2' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.05 168.83 23.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.542 1.811 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 62.58 5.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.62 -82.07 0.1 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.429 1.081 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.651 ' HB3' ' HG2' ' A' ' 65' ' ' PRO . . . -41.94 125.74 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' SER . 1.1 mt-30 176.44 148.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.1 t60 70.34 -65.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 69' ' ' GLN . 1.0 OUTLIER -45.57 -55.06 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p30 174.19 160.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.583 ' HG3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -93.64 102.75 14.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -137.16 75.44 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.6 -16.17 2.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.852 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -63.46 131.49 48.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -124.07 137.64 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.773 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -104.57 157.91 16.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 30.7 mt -134.96 113.8 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.925 HD13 ' HB2' ' A' ' 60' ' ' ALA . 25.4 mm -49.61 144.49 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 59' ' ' ILE . 11.3 mt -92.79 152.39 19.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.16 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.74 -40.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -106.14 34.13 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.527 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -87.07 169.14 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.549 ' O ' HD12 ' A' ' 90' ' ' ILE . 7.3 m -111.07 111.03 56.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 -16.85 19.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.539 HD23 ' C ' ' A' ' 31' ' ' SER . 13.3 tp -85.72 -66.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -50.0 -41.09 46.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 86' ' ' CYS . 38.0 mt -54.62 -56.0 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -62.89 -46.26 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -43.86 -51.49 7.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -101.96 47.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.59 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.9 t-105 -100.23 131.53 23.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.59 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.02 123.0 7.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 89.2 p -62.76 -41.72 99.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.56 -42.03 67.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 0.9 OUTLIER -54.07 -33.67 58.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.94 -172.69 19.56 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -76.53 154.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.01 139.95 53.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.738 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.0 t -147.62 140.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.599 ' CD2' HD11 ' A' ' 12' ' ' LEU . 47.9 m-85 -115.21 102.7 10.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -95.2 144.88 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tp -102.88 119.77 39.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -159.35 -175.45 5.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.494 ' O ' ' CE ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -74.17 160.3 31.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.62 154.25 47.89 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 116.9 4.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.453 1.765 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.6 29.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.77 -63.32 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -93.63 -158.03 33.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -55.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t 66.96 100.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 139.54 36.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.8 135.53 4.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -169.55 170.86 7.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.84 135.02 3.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.09 122.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 110.029 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -165.8 157.56 14.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.44 110.02 0.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 -56.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.995 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.74 -67.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.22 165.82 11.73 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -123.39 155.22 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 0.732 . . . . 0.0 110.353 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.603 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.92 125.15 26.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.362 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.68 102.03 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.66 94.28 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.763 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.8 m-85 -68.72 -44.91 72.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.046 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 18' ' ' SER . . . 42.94 44.64 4.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.11 71.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' ALA . 23.0 t -172.58 -49.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.39 -33.01 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -139.29 93.07 10.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.472 1.775 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -42.87 -61.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.563 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.2 mp -73.01 140.66 80.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 -55.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -159.78 166.67 29.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.3 mptt -134.69 146.04 49.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.3 p -126.13 110.85 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 46' ' ' LYS . 5.9 pt -112.32 155.39 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.79 111.31 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 30' ' ' LEU . 1.3 tp -114.84 160.48 19.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.849 ' C ' HD23 ' A' ' 88' ' ' LEU . 3.3 m -123.42 143.91 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.7 ' N ' HD23 ' A' ' 88' ' ' LEU . 76.1 p -38.35 -30.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' SER . 17.9 m -91.71 -96.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' OD1' ' CD2' ' A' ' 38' ' ' PHE . 0.7 OUTLIER 45.9 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -145.1 149.48 35.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 40' ' ' VAL . . . -58.12 -39.23 78.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -39.12 90.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' OD1' ' A' ' 34' ' ' ASP . 37.3 t80 -71.13 -51.53 24.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.43 76.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 36' ' ' ALA . 2.9 t -51.84 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 44' ' ' LEU . . . -42.81 -56.98 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.7 mm-40 -42.81 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.486 ' OG ' HD22 ' A' ' 105' ' ' LEU . 11.9 t -39.13 -57.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.71 HD11 ' HD2' ' A' ' 57' ' ' TYR . 23.9 mt -44.65 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -52.5 -52.03 56.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG3' HG21 ' A' ' 28' ' ' ILE . 4.5 mmtt -50.17 -40.1 45.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.0 m-85 -77.54 -31.67 53.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.3 -3.93 7.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.5 mm? -82.33 58.87 4.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.58 44.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -155.05 -45.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.46 172.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.33 115.75 65.49 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -75.01 -26.73 10.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.508 ' O ' ' CZ ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -64.65 -12.43 45.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -91.71 -33.39 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HD2' HD11 ' A' ' 44' ' ' LEU . 8.5 m-85 -95.3 139.68 31.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.741 ' SG ' HD12 ' A' ' 80' ' ' ILE . 23.8 p -127.12 172.52 10.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.83 112.43 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 1.009 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -108.13 120.96 43.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HG3' ' CE ' ' A' ' 63' ' ' MET . 13.0 ptt180 -89.17 133.22 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 78' ' ' GLU . 31.4 t -107.2 113.53 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.558 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 1.2 mtm -109.67 127.36 54.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.658 HD11 ' HA ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -72.31 154.07 92.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.07 25.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.14 4.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.85 48.72 3.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 71' ' ' SER . . . -146.89 -53.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 53.88 83.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 45.11 52.38 8.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.641 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.58 ' HB2' ' HB1' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -91.19 -61.75 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 p30 179.62 128.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.658 ' HA ' HD11 ' A' ' 64' ' ' LEU . 3.0 mp0 -44.56 -30.7 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -50.14 120.0 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.59 13.8 62.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 73' ' ' GLU . . . -81.24 170.31 16.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.23 120.51 23.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.726 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.3 pt-20 -103.8 152.04 22.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.3 mt -130.35 120.85 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.009 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.5 mm -60.29 160.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.515 HD11 ' HE1' ' A' ' 103' ' ' PHE . 3.3 mt -120.46 158.61 26.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -171.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -102.95 33.28 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -169.86 35.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.804 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.5 OUTLIER -90.33 179.98 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.596 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.9 p -127.46 101.99 23.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -14.52 21.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.849 HD23 ' C ' ' A' ' 31' ' ' SER . 11.2 tp -85.79 -58.89 2.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.13 -47.37 81.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.804 HD11 ' OE1' ' A' ' 85' ' ' GLU . 27.3 mt -46.85 -49.79 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.71 -43.3 84.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -54.41 -30.37 52.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -109.2 34.34 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.602 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 63.7 t-105 -91.48 135.63 27.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 107.99 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.1 Cg_endo -75.01 -13.53 21.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.2 OUTLIER 69.43 -61.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 95' ' ' PRO . 0.6 OUTLIER -41.66 -47.85 4.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 22.0 mttt -41.04 -40.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' SER . . . 144.31 151.56 5.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.488 HG22 HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -41.27 149.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.4 133.54 54.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.763 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.4 t -147.95 144.02 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.603 ' CD2' HD11 ' A' ' 12' ' ' LEU . 59.3 m-85 -116.17 108.41 16.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.3 150.28 20.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.486 HD22 ' OG ' ' A' ' 43' ' ' SER . 1.1 tp -109.13 117.1 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -167.52 157.43 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' O ' ' NZ ' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -43.43 160.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.508 ' CZ ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -80.78 123.37 82.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 18.5 Cg_endo -74.99 129.43 12.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -74.98 -50.67 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.11 -48.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 171.9 69.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -62.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.13 92.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.53 151.64 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -172.25 102.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.968 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.34 143.22 28.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.84 -149.91 21.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -150.65 165.25 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.42 -53.19 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.45 -74.96 0.4 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 p -70.53 155.9 40.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.05 -155.56 16.01 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.56 -135.04 3.56 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 p -127.83 167.44 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -137.79 125.6 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HA ' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -85.08 105.98 16.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 mm -103.86 83.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.746 ' CE2' HG13 ' A' ' 102' ' ' VAL . 91.6 m-85 -60.41 -47.84 84.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 40.52 58.37 2.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.1 65.36 4.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -165.53 -66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.01 -40.15 72.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -134.29 92.08 21.69 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.23 9.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -51.61 -59.21 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.582 HG23 ' HD2' ' A' ' 24' ' ' PRO . 4.7 mp -76.08 140.64 70.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.582 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -46.06 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -166.97 160.22 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -140.1 146.71 39.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 13' ' ' ARG . 76.8 p -128.6 113.75 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 46' ' ' LYS . 9.2 pt -106.13 159.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -77.08 107.0 9.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD23 ' HG2' ' A' ' 87' ' ' PRO . 1.1 tp -117.32 160.15 21.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 m -124.02 179.4 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -93.79 22.59 5.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.5 p -128.02 -43.31 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.92 168.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 p -117.37 176.7 5.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.78 -54.25 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.12 -44.12 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -65.04 -54.41 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.77 55.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 54' ' ' PRO . 43.0 t -45.81 -70.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -43.29 -53.77 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.74 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.8 t -39.4 -50.22 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 57' ' ' TYR . 36.2 mt -52.92 -66.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' GLY . 25.8 mt-10 -52.55 -52.76 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 28' ' ' ILE . 17.4 mmtt -46.77 -48.9 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.357 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.2 -25.0 65.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 121.93 -7.9 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.064 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD12 ' HG2' ' A' ' 52' ' ' GLU . 2.7 mm? -77.27 65.21 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 0.781 . . . . 0.0 109.236 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -91.67 41.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -152.31 -45.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HG2' HD12 ' A' ' 49' ' ' LEU . 15.8 mm-40 -45.83 169.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.51 121.17 54.03 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' HG11 ' A' ' 40' ' ' VAL . 18.5 Cg_endo -74.93 -14.42 21.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.756 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -13.25 59.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' C ' ' CD1' ' A' ' 57' ' ' TYR . 18.3 m-20 -90.13 -14.52 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.623 ' HD2' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -123.0 168.0 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' A' ' 80' ' ' ILE . 19.9 p -150.61 -171.45 3.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 81' ' ' LEU . 4.9 mm -112.41 99.78 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.921 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -95.29 119.29 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' CG ' HD21 ' A' ' 81' ' ' LEU . 28.0 ptt180 -88.89 134.3 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 78' ' ' GLU . 17.4 t -110.15 121.03 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 mtm -108.07 120.99 43.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.09 152.88 94.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.89 17.45 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.534 1.807 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.78 4.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -95.91 66.81 1.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.87 179.49 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.99 -53.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.61 -168.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m 61.99 -92.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.88 86.91 4.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -86.03 46.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -76.54 112.05 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.24 -29.73 5.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.74 128.3 10.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -130.06 138.53 50.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.805 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.53 155.02 21.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.4 mt -133.23 114.77 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.921 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.3 mm -51.77 149.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 59' ' ' ILE . 4.7 mt -96.26 161.45 13.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.84 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 165.35 -35.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -105.38 24.8 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' CD ' HD11 ' A' ' 90' ' ' ILE . 0.8 OUTLIER -81.98 177.57 8.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.47 118.24 21.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.474 ' HG2' HD23 ' A' ' 30' ' ' LEU . 18.4 Cg_endo -74.93 -37.76 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 111.06 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 tp -66.39 -55.63 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -46.01 80.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.442 HD11 ' CD ' ' A' ' 85' ' ' GLU . 48.8 mt -59.57 -49.36 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.46 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 50.7 t80 -52.68 -53.79 42.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -47.96 74.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -91.9 51.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.234 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.526 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 73.7 t-105 -121.45 130.98 24.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.526 ' HD2' ' CD2' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -75.0 99.26 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.764 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 60.0 p -46.0 -25.94 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -42.14 96.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.463 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 1.4 mtpp -55.91 -24.77 39.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.43 -179.61 16.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 100' ' ' ILE . 1.1 mm -68.47 154.25 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 91' ' ' PHE . 12.2 tp -121.84 137.76 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.746 HG13 ' CE2' ' A' ' 15' ' ' TYR . 2.1 t -146.55 141.04 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' HD2' HD11 ' A' ' 12' ' ' LEU . 42.5 m-85 -114.47 104.92 12.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -99.63 150.16 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.07 120.76 42.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.88 173.97 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.25 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -52.87 154.82 2.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -93.56 125.47 53.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.87 2.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.5 t -174.59 87.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.32 171.74 12.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.44 38.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -99.72 141.8 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 64.2 p -137.16 127.0 25.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -74.9 150.89 39.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 110.04 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -108.75 97.68 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.6 173.41 39.81 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -98.16 -58.06 2.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.989 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 58.12 160.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.47 63.0 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.5 p -69.44 122.8 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 -167.75 33.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.16 -137.41 4.63 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.2 p -129.61 167.53 17.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -144.31 122.94 12.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' CG ' HG22 ' A' ' 27' ' ' THR . 4.1 mtm180 -84.76 109.52 18.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 mm -103.86 83.48 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.616 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 82.9 m-85 -53.99 -48.77 70.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 41.33 73.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -93.45 44.67 1.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.31 48.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -172.21 -41.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HG3' ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -127.48 86.43 58.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 18.3 Cg_endo -75.03 168.17 25.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' PRO . 5.0 m-20 81.75 -56.51 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.735 HG23 ' HD2' ' A' ' 24' ' ' PRO . 2.8 mp -62.34 142.62 96.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.0 -80.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -144.33 152.48 40.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -122.85 145.96 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.408 HG22 ' CG ' ' A' ' 13' ' ' ARG . 10.7 p -131.3 111.45 11.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 4.8 pt -107.6 154.12 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.32 118.03 16.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 39' ' ' ALA . 1.2 tp -120.94 158.93 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.0 m -124.05 171.07 10.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 p -85.21 6.82 24.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.5 p -118.58 -35.89 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -48.96 176.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 p -127.07 -175.4 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.401 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.5 -53.0 11.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.06 -45.5 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -61.78 -57.97 9.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -53.0 -46.07 68.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' CD1' ' A' ' 105' ' ' LEU . 2.6 t -50.24 -69.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -41.97 -48.59 4.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -57.16 -56.71 18.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.6 t -48.24 -52.17 22.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 54' ' ' PRO . 29.4 mt -47.6 -68.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 48' ' ' GLY . 20.9 mt-10 -49.42 -59.68 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.318 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 28' ' ' ILE . 3.9 mmtt -40.26 -50.39 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.407 ' CG ' ' HG3' ' A' ' 20' ' ' LYS . 2.3 m-85 -68.43 -36.41 79.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 45' ' ' GLU . . . 123.49 39.02 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 49' ' ' LEU . 2.2 mm? -124.29 59.9 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 51.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.45 -46.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -54.39 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 8.2 t30 -114.08 122.44 34.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.517 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.4 Cg_endo -75.03 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -11.98 47.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -89.52 -33.71 16.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 53' ' ' ASN . 27.2 m-85 -101.62 134.62 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 178.94 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.618 HG12 HG23 ' A' ' 40' ' ' VAL . 29.9 mm -101.95 105.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.698 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.11 119.32 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HD3' HD21 ' A' ' 81' ' ' LEU . 15.0 ptt-85 -89.33 130.22 35.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 78' ' ' GLU . 6.1 t -107.67 120.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.406 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -107.96 125.74 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -80.42 143.31 55.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.97 165.14 31.96 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 84.12 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.17 87.53 1.97 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -147.28 176.68 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -72.86 174.3 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -104.11 -70.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.614 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.97 -60.67 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.65 156.08 22.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -116.97 65.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -82.96 112.11 19.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.84 -36.76 4.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -46.58 124.92 6.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.87 124.02 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.774 ' HB3' HG22 ' A' ' 62' ' ' VAL . 1.1 pt-20 -95.34 156.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.3 mt -132.4 114.19 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' A' ' 60' ' ' ALA . 3.6 mm -50.2 155.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.556 HD21 ' HD3' ' A' ' 61' ' ' ARG . 18.3 mt -106.59 152.99 23.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.81 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.99 -45.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -92.95 23.12 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -78.72 179.43 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.429 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 0.5 OUTLIER -132.82 112.24 13.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.598 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -12.02 21.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 tp -91.89 -56.3 3.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -35.04 73.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.429 ' CG1' ' O ' ' A' ' 86' ' ' CYS . 62.4 mt -64.12 -48.07 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -54.26 -59.3 4.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -30.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.61 42.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 71.1 t-105 -115.61 130.85 24.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.568 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.2 Cg_endo -75.04 112.68 3.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 97.0 p -58.11 -20.67 41.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -46.29 67.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' CD ' ' HG2' ' A' ' 95' ' ' PRO . 7.7 mtpt -50.56 -36.01 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.55 -166.93 25.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.9 OUTLIER -78.47 154.79 5.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 15.7 tp -122.07 138.39 54.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.616 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 1.8 t -147.72 142.87 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 87' ' ' PRO . 70.6 m-85 -119.76 107.94 13.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -98.76 168.32 10.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.662 ' CD1' HG22 ' A' ' 40' ' ' VAL . 9.3 tp -117.33 101.13 8.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -130.26 172.95 11.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.35 120.93 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.348 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -57.98 160.52 8.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 120.42 6.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 p -168.82 95.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.02 154.68 8.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -57.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 m -53.69 -67.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.33 105.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.23 159.71 3.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -57.6 164.3 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.19 137.04 4.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.65 115.73 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.61 24.28 7.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.96 -80.69 1.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 m -125.76 -79.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.89 -93.61 0.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 171.57 168.8 33.66 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 p -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -158.52 133.26 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.01 106.08 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.95 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.732 ' CE2' HG13 ' A' ' 102' ' ' VAL . 98.1 m-85 -57.05 -48.66 77.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.23 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.51 53.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.5 t -178.53 48.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD11 ' CE1' ' A' ' 57' ' ' TYR . 5.9 tp -170.66 -41.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -136.96 92.88 13.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.62 0.27 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -42.18 -59.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -79.94 140.27 54.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -74.99 -79.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -129.64 157.1 43.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HD3' ' CE1' ' A' ' 47' ' ' TYR . 2.1 tptt -132.43 142.37 49.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.7 p -124.57 111.03 15.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 46' ' ' LYS . 5.4 pt -109.84 155.88 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.91 108.14 12.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' CD1' HD11 ' A' ' 28' ' ' ILE . 1.1 tp -104.17 159.04 16.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.621 ' C ' HD23 ' A' ' 88' ' ' LEU . 5.3 m -123.97 143.12 50.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.648 ' N ' HD23 ' A' ' 88' ' ' LEU . 13.6 p -53.96 -22.42 10.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -86.56 -39.72 15.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -53.61 163.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 85' ' ' GLU . 61.0 p -126.86 -169.08 1.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' CG1' ' A' ' 59' ' ' ILE . . . -72.81 -46.65 51.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -48.42 -44.61 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -71.88 -53.66 12.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.4 -44.33 65.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.252 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 36' ' ' ALA . 24.4 t -48.99 -68.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.2 -54.63 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.1 mm-40 -48.69 -68.14 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' GLU . 32.7 t -38.77 -53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.603 HD11 ' HD2' ' A' ' 57' ' ' TYR . 44.2 mt -48.99 -66.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.61 -53.61 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 28' ' ' ILE . 22.8 mmtt -46.2 -53.01 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 2.3 m-85 -64.64 -26.38 68.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.87 32.21 1.93 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.5 65.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -94.94 44.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.02 -46.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -49.68 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -107.17 122.54 41.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HB3' HD12 ' A' ' 44' ' ' LEU . 18.2 Cg_endo -75.02 -25.78 11.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' NE ' ' A' ' 108' ' ' ARG . 4.8 mtmt -66.18 -11.31 48.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -90.19 -32.34 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.603 ' HD2' HD11 ' A' ' 44' ' ' LEU . 13.1 m-85 -103.22 142.71 33.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.25 174.69 9.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.612 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 10.7 mm -102.46 110.6 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.807 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -103.36 121.85 43.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HD3' HD21 ' A' ' 81' ' ' LEU . 16.5 ptt180 -89.48 127.43 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 78' ' ' GLU . 38.4 t -100.05 115.04 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -111.51 126.93 55.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 65' ' ' PRO . 0.4 OUTLIER -75.92 114.08 33.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.51 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 164.37 33.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -29.88 7.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.12 55.53 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . -138.6 -56.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 0.714 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -151.34 147.31 26.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -53.12 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.543 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.56 62.74 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.13 174.53 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.96 118.94 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -134.59 -58.76 0.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.67 33.43 6.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 65' ' ' PRO . . . -56.92 170.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -132.08 138.73 48.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.814 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -112.63 160.69 17.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.6 mt -137.3 120.61 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.807 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.2 mm -54.44 153.84 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' HD3' ' A' ' 61' ' ' ARG . 11.2 mt -102.67 167.31 9.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -77.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.96 -42.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 p30 -97.28 24.33 6.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' THR . 0.6 OUTLIER -79.11 -174.29 4.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.552 ' O ' HD12 ' A' ' 90' ' ' ILE . 1.6 p -134.42 108.52 11.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.98 -28.73 8.95 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 32' ' ' THR . 16.5 tp -77.53 -60.92 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -51.53 -42.89 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 86' ' ' CYS . 47.9 mt -58.21 -48.55 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -63.27 -43.51 97.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.53 -40.24 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -113.97 55.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 69.0 t-105 -116.16 131.46 23.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.98 119.09 5.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.7 p -60.86 -34.78 75.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -41.87 88.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 0.8 OUTLIER -54.59 -31.64 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 132.58 167.35 11.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.6 OUTLIER -61.67 152.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 0.759 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 94' ' ' TRP . 7.0 tp -122.28 135.88 54.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.732 HG13 ' CE2' ' A' ' 15' ' ' TYR . 1.4 t -145.82 139.33 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.587 ' HD2' HD11 ' A' ' 12' ' ' LEU . 52.2 m-85 -114.75 111.72 21.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -100.08 165.44 11.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -129.73 119.38 23.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.09 175.62 9.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.17 142.44 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -52.65 119.73 16.48 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 57.05 4.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.5 p -177.3 164.53 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.29 -81.55 1.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.95 8.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.557 1.819 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.4 p -137.21 151.49 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.39 131.43 8.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -156.61 97.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.032 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p -143.72 111.17 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.82 121.84 0.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.96 112.16 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -83.38 120.87 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.05 154.26 8.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -78.72 113.6 16.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.15 -113.16 1.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.01 174.09 46.21 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' HD22 ' A' ' 12' ' ' LEU . 8.9 p -124.21 166.99 14.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.793 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.59 HD11 ' CD2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -146.79 126.51 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 94.98 9.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.0 mm -88.0 86.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.667 ' CD2' ' CG1' ' A' ' 102' ' ' VAL . 85.3 m-85 -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.651 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . . . 39.47 54.77 2.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -81.42 67.74 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 t -171.06 -52.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 19' ' ' LEU . 9.4 tp -59.87 -33.51 71.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -136.4 92.25 15.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.33 2.23 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -143.47 -56.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.713 HG23 ' HD2' ' A' ' 24' ' ' PRO . 3.6 mp -71.55 142.46 86.37 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 -57.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -161.3 160.62 29.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' CD ' HG21 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -131.68 145.48 51.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.6 p -126.59 111.3 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.484 HG21 ' HG3' ' A' ' 46' ' ' LYS . 4.7 pt -108.92 153.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.35 110.38 9.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -110.48 160.66 16.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.541 ' C ' HD23 ' A' ' 88' ' ' LEU . 4.9 p -123.83 141.29 52.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.705 ' N ' HD23 ' A' ' 88' ' ' LEU . 11.0 p -45.26 -27.76 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.654 ' O ' HG23 ' A' ' 33' ' ' THR . 15.1 t -111.15 57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -114.7 169.42 9.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -121.26 152.24 39.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.74 -45.53 89.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -55.25 -35.34 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -73.27 -50.81 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.58 -45.88 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.445 HG11 ' O ' ' A' ' 54' ' ' PRO . 2.9 t -44.15 -66.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.81 -56.35 2.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -47.57 -68.97 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.409 ' OG ' HD22 ' A' ' 105' ' ' LEU . 23.9 t -38.55 -56.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 54' ' ' PRO . 35.7 mt -45.02 -66.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.1 -52.63 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HG3' HG21 ' A' ' 28' ' ' ILE . 6.2 mmtt -47.61 -50.05 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.651 ' OH ' ' HB3' ' A' ' 16' ' ' ALA . 3.9 m-85 -65.16 -30.2 71.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.3 6.04 9.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -88.97 54.25 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -82.81 50.08 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -45.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.45 170.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.594 ' O ' ' CE2' ' A' ' 57' ' ' TYR . 1.3 t-20 -98.95 127.19 35.82 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.494 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.3 Cg_endo -74.98 -2.42 12.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -92.19 3.36 55.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -108.99 -11.48 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 53' ' ' ASN . 5.5 m-85 -126.96 142.37 51.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.407 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -128.64 -175.03 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.587 ' O ' HD12 ' A' ' 81' ' ' LEU . 14.7 mm -109.79 103.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 80' ' ' ILE . . . -98.06 120.95 39.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HD3' HD21 ' A' ' 81' ' ' LEU . 26.2 ptt180 -89.45 134.62 34.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.727 HG22 ' HB3' ' A' ' 78' ' ' GLU . 8.3 t -108.34 114.04 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.411 ' HG2' ' CH2' ' A' ' 94' ' ' TRP . 2.3 mtm -110.56 132.52 54.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.709 HD13 ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -74.43 153.08 87.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.609 ' HG2' ' HB2' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.02 171.53 18.15 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 67.38 5.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.15 -91.69 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.609 ' HB2' ' HG2' ' A' ' 65' ' ' PRO . . . 64.18 175.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -173.28 177.54 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 62.64 155.65 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.1 m -52.83 -54.66 31.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.09 135.02 56.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.89 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 54.21 102.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.89 -50.14 0.8 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.048 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.709 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -44.91 127.34 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.88 123.18 26.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.727 ' HB3' HG22 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -85.89 150.38 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.2 mt -132.95 117.65 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 60' ' ' ALA . 4.9 mm -47.99 154.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 59' ' ' ILE . 4.4 mt -101.64 155.55 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -41.02 -81.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 176.64 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -109.0 35.26 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.565 ' OE1' HD11 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -81.47 -178.47 6.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 90' ' ' ILE . 9.6 m -129.27 106.23 17.7 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -74.99 -29.0 8.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.467 1.772 . . . . 0.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.705 HD23 ' N ' ' A' ' 32' ' ' THR . 22.0 tp -74.07 -53.5 9.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.565 HD11 ' OE1' ' A' ' 85' ' ' GLU . 57.4 mt -63.42 -48.11 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -50.83 -48.84 59.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' CD ' ' O ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -61.27 -49.23 77.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -91.04 47.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE3' ' HD2' ' A' ' 95' ' ' PRO . 65.2 t-105 -116.64 131.92 23.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.044 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.596 ' HD2' ' CE3' ' A' ' 94' ' ' TRP . 18.3 Cg_endo -74.93 126.56 10.09 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.3 p -67.52 -33.29 74.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -31.94 72.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 95' ' ' PRO . 4.1 mttt -64.33 -28.14 69.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.25 177.37 15.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 100' ' ' ILE . 0.5 OUTLIER -67.02 150.53 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -122.82 137.49 54.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 15' ' ' TYR . 2.0 t -147.17 149.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD2' HD11 ' A' ' 12' ' ' LEU . 61.2 m-85 -119.02 118.18 30.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -108.89 163.59 13.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -126.98 120.61 29.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.168 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.58 177.72 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 139.94 58.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.447 ' NH1' ' C ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -54.15 108.16 1.06 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 18.4 Cg_endo -74.97 144.66 30.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.0 -50.4 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.19 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.39 -137.57 2.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 56.61 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -56.86 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.1 t -39.38 134.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.983 . . . . . . . . 0 0 . 1 stop_ save_