data_1v60_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 1v60 _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 ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 28.1 tt0 -50.87 -58.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.66 -53.1 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -55.38 26.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.6 mt -42.05 -36.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.34 -35.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -69.02 -71.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.3 mt -48.34 -24.27 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 39' ' ' LYS . 6.0 mt-10 -62.81 -43.65 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -104.1 -3.5 24.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -100.6 -3.64 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -150.69 -46.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.509 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 15.0 p 60.15 59.45 4.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.2 Cg_endo -75.01 -179.3 4.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.4 -20.83 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 15.0 t -150.7 107.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.84 96.77 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -104.71 140.48 37.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HG ' ' CG ' ' A' ' 33' ' ' GLU . 29.2 tp -150.19 140.38 22.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.03 125.28 42.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.66 161.69 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.28 123.1 21.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.14 147.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 120' ' ' LEU . . . -125.06 99.49 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 7.5 p -96.54 137.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.506 HG22 ' CD2' ' A' ' 114' ' ' TRP . 85.7 t -130.03 87.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.51 163.62 28.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 p -81.36 -15.72 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -46.12 -42.27 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.5 42.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.38 94.93 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.6 41.75 93.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.16 179.43 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.32 159.12 75.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.81 11.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.19 -49.06 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -50.55 -48.04 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 85.9 mtt180 -45.91 -64.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.04 -45.12 67.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -50.3 -50.38 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.59 -57.1 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.63 -58.14 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.475 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 13.9 m170 -43.69 -42.03 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.64 76.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.87 89.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 2.3 mm? -112.21 59.61 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.16 -34.97 68.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.29 -30.26 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 8.3 mm-40 -63.87 -53.07 56.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.475 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.5 mm? -70.14 -16.94 63.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.39 62.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.86 -96.44 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 104' ' ' LEU . 6.5 t -74.93 127.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -166.14 111.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.443 ' HB3' ' CG1' ' A' ' 101' ' ' VAL . 0.2 OUTLIER -130.44 128.94 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.48 ' CB ' ' CZ ' ' A' ' 69' ' ' ARG . . . -74.6 99.57 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.4 HG12 ' CD1' ' A' ' 104' ' ' LEU . 37.8 mt -87.44 126.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.84 103.34 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -100.41 105.72 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -127.03 -176.93 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 164.13 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.86 8.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.78 -35.38 7.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -82.7 -42.03 18.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 63.0 t-105 -50.56 -46.37 57.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -52.05 -37.34 53.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -54.88 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -133.85 77.49 62.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.528 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.94 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -84.04 117.98 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.471 ' CD2' ' HB1' ' A' ' 71' ' ' ALA . 9.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 4.0 tt0 -48.68 -52.28 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.39 -45.25 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.01 75.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.4 mt -45.63 -35.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.08 -34.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.7 mmtt -69.13 -71.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 93' ' ' LEU . 92.2 mt -47.97 -25.82 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.09 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -104.54 -3.59 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.14 -5.4 25.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.8 mt -150.21 -46.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.82 59.67 4.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.2 Cg_endo -75.03 179.48 6.06 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.75 -20.51 27.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.49 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 21.5 t -150.51 105.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.42 87.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -94.21 139.29 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 70' ' ' VAL . 31.1 tp -152.34 134.42 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.47 139.2 40.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 5.5 m-85 -152.53 163.14 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -137.61 118.98 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -119.39 148.07 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.537 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -128.54 99.64 5.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 10.9 p -96.42 140.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 114' ' ' TRP . 99.1 t -133.81 86.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.54 163.67 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -83.11 -5.96 59.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -39.52 69.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 12.0 m-85 -89.02 38.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 92.9 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.3 34.24 89.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.25 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -69.88 155.33 93.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.57 -46.16 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.85 -51.53 65.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.561 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 76.9 mtt180 -40.31 -62.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.93 -42.27 84.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.641 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -46.75 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -45.12 69.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.59 -50.68 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.494 ' CD2' HD13 ' A' ' 97' ' ' LEU . 51.7 m170 -52.82 -45.25 67.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -45.45 72.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.78 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.464 ' CD2' HD22 ' A' ' 40' ' ' LEU . 1.1 mm? -112.43 61.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -83.11 -32.56 26.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.64 -11.48 59.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' VAL . 40.6 mm-40 -82.3 -37.45 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 90' ' ' HIS . 1.2 mt -99.54 4.22 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.15 39.87 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.81 -75.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.47 ' CG1' HD23 ' A' ' 97' ' ' LEU . 4.6 t -60.0 137.13 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -112.04 -26.15 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -174.07 115.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -130.6 135.14 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 69' ' ' ARG . . . -80.2 100.92 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.7 mt -85.14 137.6 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.44 96.52 6.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.18 101.45 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.69 173.07 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.71 165.27 13.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.57 8.72 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.62 -29.43 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -88.13 -44.92 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.598 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 60.5 t-105 -48.65 -35.85 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -58.89 -49.33 78.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -56.39 21.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.44 85.7 17.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.598 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -15.33 20.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.69 119.37 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.537 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 17.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 7.7 tt0 -49.22 -58.01 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.0 -51.15 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.18 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.6 mt -40.34 -45.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NE ' ' CD ' ' A' ' 41' ' ' GLU . 3.7 ttp180 -74.11 -63.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.3 -36.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.6 mmtt -68.68 -71.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 93' ' ' LEU . 82.9 mt -48.05 -25.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' NE ' ' A' ' 37' ' ' ARG . 19.6 mt-10 -62.97 -42.03 99.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -104.81 -3.72 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -98.88 -7.35 27.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.2 mt -147.34 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.516 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.6 59.11 3.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.03 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.16 -20.36 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 21.2 t -150.6 104.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.28 87.61 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -92.91 140.86 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 3.8 tp -149.29 131.9 15.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' N ' HD12 ' A' ' 51' ' ' LEU . 25.1 mmm-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.444 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 5.9 m170 -94.47 112.07 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -126.62 175.19 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.46 114.23 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.09 141.93 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -123.26 99.87 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 77' ' ' PHE . 10.3 p -94.41 143.41 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.519 HG22 ' CD2' ' A' ' 114' ' ' TRP . 87.7 t -134.74 86.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.22 163.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -84.62 -8.0 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 5.0 mmp_? -54.79 -37.8 66.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.532 ' CE2' HG12 ' A' ' 72' ' ' VAL . 9.0 m-85 -89.9 39.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.09 80.15 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.72 30.94 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 88' ' ' LEU . 7.6 mtp -91.66 162.3 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 m -66.19 159.47 71.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -24.45 12.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.71 -44.28 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.21 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -44.39 -62.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -60.95 -35.2 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.591 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.85 -45.01 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.466 ' CD1' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -50.14 -52.62 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.4 t -65.0 -56.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 57.5 m170 -46.86 -42.77 17.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.29 -39.35 75.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.25 -41.53 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.473 ' CD2' HD23 ' A' ' 40' ' ' LEU . 3.3 mm? -118.68 64.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.6 OUTLIER -83.09 -32.05 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -14.39 59.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.448 ' CG ' HD11 ' A' ' 93' ' ' LEU . 5.8 mm-40 -77.63 -30.57 52.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -105.36 7.96 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.1 62.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.03 -70.34 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.5 t -81.91 151.46 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 2.0 m-70 -126.97 -51.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' A' ' 67' ' ' HIS . . . -126.38 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 1.3 tp -117.19 112.65 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.4 99.89 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.419 HD12 ' NE2' ' A' ' 90' ' ' HIS . 27.1 mt -89.44 142.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.73 96.48 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.84 105.69 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.06 169.22 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.3 164.81 14.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.59 -14.6 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -103.89 -34.31 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.519 ' CD2' HG22 ' A' ' 73' ' ' VAL . 34.9 t-105 -63.13 -28.6 70.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 107.987 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -66.25 -50.98 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.05 -43.29 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -147.84 84.25 7.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.0 124.45 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 13.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 6.1 tt0 -47.76 -58.46 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.92 -48.72 5.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -57.88 -54.47 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 22.2 mt -39.72 -41.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -84.35 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.8 mmtt -68.24 -71.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 89' ' ' VAL . 64.6 mt -45.69 -28.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -60.69 -41.28 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' LYS . 12.3 pt20 -104.79 -3.11 23.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -98.2 -33.96 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 40' ' ' LEU . 39.7 mt -121.78 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 56.63 58.76 8.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.2 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -88.85 -20.65 24.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 16.4 t -149.83 103.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.34 83.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.35 138.72 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 24.8 tp -151.14 135.61 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -118.46 129.0 55.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 16.1 m-85 -153.57 165.58 35.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -141.82 117.59 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -116.06 147.33 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' CD2' ' A' ' 120' ' ' LEU . . . -128.75 99.58 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 13.2 p -94.67 136.4 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.498 HG23 ' CD2' ' A' ' 114' ' ' TRP . 86.8 t -130.38 86.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.49 165.16 24.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.9 p -88.02 1.95 52.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.8 -41.09 97.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 10.7 m-85 -87.12 38.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.71 75.16 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.38 27.12 8.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.424 ' CE ' HD13 ' A' ' 88' ' ' LEU . 5.0 mtt -96.16 157.11 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.44 170.9 6.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.24 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.64 -54.39 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -46.26 -54.76 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 82.2 mtt180 -43.24 -65.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.77 -54.61 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.424 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -46.88 -43.61 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 40' ' ' LEU . 65.5 t -72.77 -55.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.562 ' CD2' HD13 ' A' ' 97' ' ' LEU . 63.2 m170 -47.62 -37.03 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.59 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.2 -40.02 62.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.53 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.3 p -75.6 -48.18 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.54 -13.42 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -78.57 -44.31 24.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.562 HD13 ' CD2' ' A' ' 90' ' ' HIS . 0.9 OUTLIER -97.02 4.42 51.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -119.02 40.02 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.66 -82.51 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.534 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -74.96 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.418 ' CG1' HD21 ' A' ' 97' ' ' LEU . 5.1 t -60.37 137.4 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 39.5 m170 -114.2 -37.19 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.39 120.68 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.34 130.21 28.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.49 100.23 9.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.8 mt -86.51 129.78 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.26 100.79 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.48 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -130.71 172.47 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.47 166.66 10.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.69 -28.08 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.96 -40.53 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.566 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 69.8 t-105 -52.09 -37.28 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 16.4 mtp-105 -57.14 -51.96 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -55.76 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -140.2 86.12 13.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.566 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.95 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -84.38 119.99 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 71' ' ' ALA . 16.5 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -48.15 -46.26 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -60.24 -46.2 90.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.24 -38.8 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.64 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.5 -33.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtp -68.93 -71.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 89' ' ' VAL . 51.4 mt -48.33 -24.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' LYS . 4.2 mt-10 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -104.59 -5.45 21.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -96.37 -25.83 15.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.98 -45.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.515 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.29 59.1 3.29 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.4 Cg_endo -74.96 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.16 -20.49 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG12 ' CZ2' ' A' ' 114' ' ' TRP . 21.8 t -149.41 107.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -120.91 104.41 9.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.31 150.7 39.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -144.44 148.82 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' N ' HD23 ' A' ' 51' ' ' LEU . 1.1 tpt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 82.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.414 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.2 t-80 -54.19 101.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -121.74 159.09 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -133.11 121.15 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 106' ' ' ILE . 1.4 p -123.92 140.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -118.57 99.73 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -95.78 139.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 114' ' ' TRP . 93.3 t -132.6 88.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.14 165.7 24.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.6 p -86.62 -5.42 59.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -55.43 -35.69 65.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -94.46 42.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 83.45 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.1 -25.48 28.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.6 166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 168.6 26.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.95 10.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.8 -51.17 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -48.59 -38.89 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.6 mtt180 -52.95 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 12.1 m170 -56.73 -31.75 64.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -66.45 -38.65 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -48.44 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.461 HG12 ' CD2' ' A' ' 40' ' ' LEU . 61.3 t -70.24 -40.22 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 86' ' ' HIS . 41.3 m170 -61.53 -38.01 85.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -47.42 85.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.48 57.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 1.7 mm? -114.38 60.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.8 OUTLIER -80.98 -28.35 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -83.69 -11.49 57.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 73.7 mm-40 -79.5 -38.04 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 90' ' ' HIS . 1.2 mt -99.47 3.5 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.63 39.26 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.46 -77.84 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' A' ' 97' ' ' LEU . 14.3 t -58.51 142.17 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 34.7 m170 -115.12 -37.46 4.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -162.99 108.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -123.34 133.22 54.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.45 101.33 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.471 HG21 ' CG1' ' A' ' 70' ' ' VAL . 31.8 mt -89.48 121.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.418 ' NE2' HD22 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -93.14 96.87 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.07 108.69 20.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -133.93 156.63 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.75 165.09 21.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.88 -24.46 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.58 -42.76 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 42.0 t-105 -52.11 -27.97 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.61 -46.11 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.55 -52.93 63.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -139.54 80.98 20.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -2.08 12.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -81.86 118.17 22.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 43.7 tt0 -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.35 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.37 80.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mt -48.5 -42.7 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -80.9 -64.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.24 -35.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.1 mmtp -69.44 -68.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.6 mt -51.29 -22.49 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.5 -41.85 92.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.83 -3.69 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -103.24 -2.54 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 mt -150.77 -46.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.498 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.99 60.03 4.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.0 -178.56 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.19 -20.93 22.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 16.1 t -150.85 105.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.69 89.76 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.84 132.65 45.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' HG ' ' CG ' ' A' ' 33' ' ' GLU . 14.7 tp -139.75 136.7 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 81.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.7 t-160 -55.72 136.81 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.5 m-85 -159.48 157.98 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -133.97 119.82 19.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.02 146.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 120' ' ' LEU . . . -129.22 100.03 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 14.4 p -98.74 140.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 114' ' ' TRP . 85.0 t -130.5 88.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.25 160.61 37.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.1 p -82.19 -6.98 59.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -37.36 66.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 18.2 m-85 -89.67 39.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.0 104.19 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.44 45.28 96.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.66 169.29 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 167.43 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.53 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.5 tp -75.39 -54.15 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.09 -54.94 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 90.2 mtt180 -45.03 -68.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -50.43 -45.6 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -49.42 -50.12 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -54.39 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.6 -52.95 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 9.9 m170 -48.78 -45.64 40.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.592 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -47.35 81.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.73 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -113.37 60.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.77 -47.43 46.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -22.21 48.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 96' ' ' GLU . 2.4 mp0 -69.87 -58.49 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.45 -14.86 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.72 63.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.37 -96.13 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -65.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.9 t -69.2 133.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -109.01 -37.67 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.7 129.41 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -148.11 130.43 15.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.64 96.86 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mt -80.8 122.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.17 100.66 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -100.81 111.96 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.26 174.24 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -110.33 164.74 14.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.84 8.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.48 -25.19 11.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.614 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 28.1 t-105 -54.89 -22.73 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -65.96 -49.25 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -136.76 85.38 24.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.614 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.01 1.84 7.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.82 173.04 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.447 ' CD2' ' HB1' ' A' ' 71' ' ' ALA . 17.4 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.36 -43.47 54.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.58 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.64 74.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.8 mt -48.43 -53.56 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.6 ttt180 -66.85 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 5.1 mmtt -69.37 -70.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -48.36 -23.94 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 37' ' ' ARG . 18.2 mt-10 -64.63 -42.56 95.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -105.14 -2.82 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -100.19 -17.79 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.1 mt -135.0 -46.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.522 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 63.52 57.69 1.96 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.1 Cg_endo -75.08 179.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . 2.6 mm-40 -96.35 -18.71 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG12 ' CZ2' ' A' ' 114' ' ' TRP . 45.3 t -146.87 107.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -119.33 109.74 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' ALA . 12.1 mm-40 -125.61 132.33 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 1.4 tt -131.44 146.45 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 58.5 p . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.567 0.222 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 0.0 OUTLIER -57.12 113.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.588 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -132.05 171.55 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' NH2' ' CB ' ' A' ' 105' ' ' ALA . 1.9 ttm-85 -150.48 110.22 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -115.38 154.81 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 120' ' ' LEU . . . -131.79 99.6 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.527 ' CG1' ' CE2' ' A' ' 77' ' ' PHE . 9.9 p -96.63 139.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.513 HG23 ' CD2' ' A' ' 114' ' ' TRP . 84.2 t -132.56 100.98 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -151.11 168.8 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.4 p -82.14 -3.94 55.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.07 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.527 ' CE2' ' CG1' ' A' ' 72' ' ' VAL . 10.4 m-85 -100.79 46.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 94.1 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.94 37.04 91.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.46 ' HE3' ' CD1' ' A' ' 88' ' ' LEU . 1.6 mtm -100.59 160.88 13.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.0 157.64 10.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -28.28 9.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.61 -34.42 23.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -66.78 -39.75 87.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -51.98 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.0 -41.93 71.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -51.41 -55.35 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.98 -41.69 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.2 t -74.47 -58.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.523 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 16.2 m170 -46.82 -35.64 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -45.43 93.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.95 -37.63 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 96' ' ' GLU . 3.6 mm? -118.59 60.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.3 t -71.97 -51.86 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -55.43 -25.89 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.446 ' HG3' ' CD1' ' A' ' 93' ' ' LEU . 6.6 mm-40 -70.49 -53.56 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 1.5 mm? -73.7 -15.52 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.99 72.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.6 -93.07 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 t -79.3 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -106.21 -42.63 5.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.79 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HG ' ' CG1' ' A' ' 106' ' ' ILE . 0.5 OUTLIER -115.61 118.64 33.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.469 ' CB ' ' NH2' ' A' ' 69' ' ' ARG . . . -78.31 99.24 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.464 HG21 ' CG1' ' A' ' 70' ' ' VAL . 26.2 mt -92.15 140.8 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' CE ' ' A' ' 109' ' ' LYS . 22.4 tt0 -116.62 96.19 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' HA ' ' CG1' ' A' ' 72' ' ' VAL . . . -89.79 109.32 20.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' CE ' ' CG ' ' A' ' 107' ' ' GLN . 6.3 mttt -126.0 170.61 11.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 111' ' ' PRO . 68.2 p -103.7 163.28 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 1.71 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -29.94 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' GLU . 4.5 mt-30 -85.15 -43.75 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.561 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 71.2 t-105 -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -58.49 -47.47 83.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 113' ' ' GLN . 4.4 mm-40 -50.81 -58.68 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -141.18 85.17 12.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.04 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 127.35 33.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.476 HD23 ' CB ' ' A' ' 71' ' ' ALA . 8.7 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 20.6 tt0 -45.56 -48.52 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.54 -51.8 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.37 68.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -50.7 -36.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -86.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -39.75 -34.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.6 mmtt -68.66 -71.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 86.8 mt -47.73 -25.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.6 mt-10 -62.51 -42.02 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -104.97 -3.47 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -95.73 -35.93 11.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -119.5 -42.66 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.44 58.47 4.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.4 Cg_endo -75.03 -177.75 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.04 -20.74 19.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 13.8 t -147.5 100.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.58 92.32 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.54 138.42 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' CG ' ' A' ' 33' ' ' GLU . 5.3 tp -150.04 132.54 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' N ' HD11 ' A' ' 51' ' ' LEU . 83.5 mmt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.07 110.1 12.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -126.18 149.81 48.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -123.06 118.91 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.4 ' CG1' HG22 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -119.32 150.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.478 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -132.25 99.78 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.475 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 14.5 p -95.4 136.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 114' ' ' TRP . 94.1 t -129.74 90.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.406 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.16 159.95 40.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 p -81.25 -9.5 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.075 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.68 -42.82 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.0 m-85 -88.03 41.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.62 74.41 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.13 -26.47 20.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 88' ' ' LEU . 79.6 mtp -40.54 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 156.61 74.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.13 13.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -83.89 -44.64 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.31 -47.6 83.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 59.2 mtt180 -38.86 -57.49 1.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -56.49 -49.46 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -45.7 -49.04 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.479 HD12 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.69 -46.95 70.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.476 ' CG1' HD12 ' A' ' 40' ' ' LEU . 2.5 t -68.4 -51.34 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 61.6 m170 -49.97 -47.26 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -47.4 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.42 80.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 40' ' ' LEU . 1.5 mm? -112.29 60.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.5 t -80.55 -41.58 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.27 -16.44 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' VAL . 34.8 mm-40 -75.66 -45.5 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 ' CG1' ' A' ' 101' ' ' VAL . 1.5 mt -93.92 1.61 56.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -117.28 42.08 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.17 -80.64 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.434 ' CG1' HD21 ' A' ' 97' ' ' LEU . 3.9 t -61.79 144.1 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -114.5 -46.96 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.92 114.78 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -129.68 126.57 38.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.11 105.46 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 104' ' ' LEU . 8.4 mt -87.86 134.48 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.7 96.65 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 107.81 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -132.91 159.2 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.41 165.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.59 8.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.6 -20.3 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -97.36 -41.13 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.522 ' CD2' HG23 ' A' ' 73' ' ' VAL . 26.1 t-105 -55.75 -31.14 62.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.56 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.46 -54.63 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -137.59 85.14 21.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.496 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.02 -16.84 19.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.91 123.97 20.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.97 -46.49 11.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -44.53 -63.82 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.81 -49.14 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.13 -58.16 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.14 -37.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.7 mmtt -69.14 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.7 mt -47.9 -24.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.4 mt-10 -62.34 -44.48 96.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -104.6 -3.29 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -99.33 -8.15 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -145.14 -47.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.92 59.19 2.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.027 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.18 -23.06 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.537 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -145.75 106.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.27 106.45 13.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.2 mm-40 -120.3 124.56 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 2.0 tt -125.58 142.86 51.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -90.81 114.57 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.53 168.44 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.54 124.88 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 1.5 p -129.19 153.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.523 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.05 99.62 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.81 135.81 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 114' ' ' TRP . 99.6 t -126.74 91.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.09 165.45 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.34 -12.4 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -40.56 49.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.79 41.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.7 82.6 8.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -32.3 7.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.442 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 4.6 mmm -38.95 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.7 167.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -39.99 -40.13 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 60.2 mtt180 -52.7 -68.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.81 -47.79 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.625 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -46.49 -51.05 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -40.61 60.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' CG1' HD13 ' A' ' 106' ' ' ILE . 85.3 t -74.57 -52.63 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.505 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 11.0 m170 -51.88 -47.89 64.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -45.53 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.11 98.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -118.63 60.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.5 OUTLIER -68.44 -49.1 62.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -38.19 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.02 -61.21 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.505 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 1.8 mm? -61.15 -25.52 67.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.68 64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.94 -101.76 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.804 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 t -76.11 125.17 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -105.8 -44.0 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.75 97.49 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.455 ' HG ' ' CG1' ' A' ' 106' ' ' ILE . 0.6 OUTLIER -106.19 111.45 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.92 95.78 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 89' ' ' VAL . 13.0 mt -86.32 145.2 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.421 ' NE2' HD22 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -118.21 96.9 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.59 111.84 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -132.08 -178.88 5.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.91 164.47 19.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.0 -20.13 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -95.98 -42.63 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.537 ' CZ2' HG13 ' A' ' 48' ' ' VAL . 52.1 t-105 -53.14 -30.45 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -64.52 -52.54 57.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -52.37 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -140.98 83.8 13.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -75.03 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.43 130.01 38.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.523 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 49.6 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -50.31 -49.67 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -45.63 -49.79 13.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.73 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -50.06 -56.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -62.44 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.65 -37.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' ALA . 5.2 mmtt -67.43 -71.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.3 mt -47.15 -28.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -58.22 -43.72 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -104.72 -3.7 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.09 -4.0 28.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -151.62 -46.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.47 59.56 3.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.2 Cg_endo -75.03 179.01 6.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -89.3 -21.38 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 39.4 t -148.35 108.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD11 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -121.16 101.43 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.24 148.56 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 1.2 tt -146.37 149.36 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.22 119.46 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -130.86 178.71 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 105.29 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.482 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -111.07 147.44 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.479 ' CB ' HD23 ' A' ' 120' ' ' LEU . . . -126.24 100.33 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 9.0 p -95.54 142.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.521 HG22 ' CD2' ' A' ' 114' ' ' TRP . 89.4 t -134.89 93.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.7 167.33 22.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 p -85.97 -3.88 59.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.19 -39.36 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.2 m-85 -93.42 43.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.78 76.68 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.35 -30.79 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.444 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 3.4 mmm -43.51 150.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.52 167.39 1.78 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.48 11.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.75 -61.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -38.84 -41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 34.3 mtt180 -47.85 -64.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -51.29 -33.08 27.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' GLU . 10.3 ttt-85 -64.51 -43.16 94.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.15 -46.91 54.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 76.5 t -71.48 -50.57 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 25.0 m170 -53.54 -31.04 44.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.555 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -66.25 -42.64 88.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.47 -37.36 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 2.1 mm? -119.76 61.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER -73.55 -48.73 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.23 -15.53 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 96' ' ' GLU . 11.4 mp0 -77.3 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -64.76 -21.48 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.72 57.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.77 -99.87 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.05 125.75 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -104.9 -42.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.33 100.98 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -114.33 123.63 49.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.33 96.68 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.428 ' CG1' ' HG ' ' A' ' 104' ' ' LEU . 12.6 mt -87.93 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.91 96.32 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.87 114.94 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -133.81 -178.43 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -116.12 164.25 18.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.6 -30.57 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -86.2 -41.37 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.634 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 71.5 t-105 -49.21 -37.53 23.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -53.07 -55.07 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.92 -56.95 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -134.01 85.77 39.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.634 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 2.87 6.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.81 176.81 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 71' ' ' ALA . 11.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.416 ' CG1' ' OE1' ' A' ' 96' ' ' GLU . 72.6 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -42.41 -55.63 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -40.03 -55.67 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.09 74.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -48.42 -67.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -55.09 -57.25 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.71 -40.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -67.66 -71.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 44' ' ' LEU . 4.0 mm? -44.02 -33.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -56.21 -42.81 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' LYS . 22.7 pt20 -104.17 -3.45 24.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.72 -9.39 20.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 40' ' ' LEU . 99.0 mt -144.35 -46.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.48 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.26 60.36 3.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.481 ' CG ' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.56 -22.53 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 25.4 t -147.08 109.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.481 ' CD1' ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.48 105.23 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.88 130.33 55.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.51 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 1.7 tt -131.08 144.39 51.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.14 122.85 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.542 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -136.05 171.96 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.65 116.93 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.51 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -121.15 139.03 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.482 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -115.47 99.24 7.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 77' ' ' PHE . 10.0 p -93.38 140.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG23 ' CD2' ' A' ' 114' ' ' TRP . 99.3 t -133.38 87.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.58 165.74 24.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -84.38 -7.45 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -39.22 70.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.532 ' CE2' HG12 ' A' ' 72' ' ' VAL . 9.9 m-85 -88.1 38.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.39 106.7 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.26 44.29 84.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p -90.3 167.86 15.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 84' ' ' GLN . 14.4 mt -68.66 -67.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.5 mt-30 -36.61 -53.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.466 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 84.8 mtt180 -44.05 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -56.11 -46.65 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -49.05 64.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.03 -50.33 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.569 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 10.0 m170 -52.07 -38.93 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -45.99 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.1 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 3.6 mm? -118.85 62.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.5 t -68.19 -36.22 79.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.78 -37.39 87.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.439 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 31.1 mm-40 -55.38 -64.02 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -53.66 -22.39 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.72 67.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.81 -100.83 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 t -83.63 129.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.57 -40.91 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.569 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.57 101.43 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.21 113.76 24.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.84 103.68 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 90' ' ' HIS . 12.8 mt -92.48 142.22 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.02 103.13 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.16 107.06 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -133.92 155.63 49.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.6 p -90.7 163.88 28.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.49 8.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.92 -22.27 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -94.18 -40.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.511 ' CD2' HG23 ' A' ' 73' ' ' VAL . 43.5 t-105 -53.76 -34.2 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -62.41 -48.03 81.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -46.86 83.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -146.22 83.62 8.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.497 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.07 -9.62 20.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -72.18 118.96 15.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 18.7 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 5.6 tt0 -52.62 -59.31 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.02 -43.16 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' C ' ' N ' ' A' ' 37' ' ' ARG . . . -63.36 -56.91 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' ALA . 44.5 mt -39.5 -32.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.81 -68.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.68 -30.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.3 mmtm -68.73 -69.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 44' ' ' LEU . 93.8 mt -49.17 -25.37 2.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.7 -42.02 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -104.6 -3.58 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -102.99 -9.7 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 40' ' ' LEU . 57.2 mt -145.67 -46.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.522 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.68 58.79 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.1 Cg_endo -75.05 -178.98 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.22 -20.7 23.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.482 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 19.8 t -149.97 107.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.79 89.76 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 6.7 mm-40 -100.32 127.6 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HG ' ' CG ' ' A' ' 33' ' ' GLU . 8.0 tp -140.5 136.3 32.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.89 98.03 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.611 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.4 m-85 -115.13 163.47 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.9 121.35 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -121.5 151.99 24.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 120' ' ' LEU . . . -134.21 100.05 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 13.6 p -99.16 141.82 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.492 HG23 ' CD2' ' A' ' 114' ' ' TRP . 97.5 t -131.71 88.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.98 162.74 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 p -82.3 -9.22 59.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.9 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 6.6 m-85 -93.22 43.25 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.05 88.2 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.78 29.41 42.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.35 158.51 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 169.92 4.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.14 12.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.24 -56.73 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' LEU . 3.2 mt-30 -43.6 -47.8 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 36.1 mtt-85 -49.57 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 12.0 m170 -56.43 -32.38 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -66.3 -38.21 87.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' GLN . 0.5 OUTLIER -57.41 -54.2 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 106' ' ' ILE . 71.6 t -65.91 -40.8 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 45.0 m170 -61.43 -39.35 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -43.91 92.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.45 -41.6 63.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.53 63.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.5 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -77.89 -50.26 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.02 -22.03 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.93 -40.03 94.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 90' ' ' HIS . 0.9 OUTLIER -98.93 9.33 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.45 50.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.3 -73.48 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.408 ' CG1' HD22 ' A' ' 97' ' ' LEU . 3.2 t -65.96 140.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -114.15 -33.59 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.632 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -169.04 111.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -127.49 131.39 50.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.98 96.39 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 90' ' ' HIS . 23.0 mt -81.33 126.44 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.36 96.73 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -96.93 109.53 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.48 177.46 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.64 165.09 15.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.1 8.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -21.3 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -97.48 -40.69 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 29.6 t-105 -55.24 -27.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -63.78 -54.71 30.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.75 -56.02 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -138.73 87.78 14.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.6 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -11.95 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -72.37 119.1 16.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD2' ' HB1' ' A' ' 71' ' ' ALA . 13.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 3.7 tt0 -46.12 -57.2 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.09 -49.01 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -52.56 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 mt -41.99 -59.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.4 ttt180 -64.18 -62.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -36.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.2 mmtt -68.92 -71.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' CD2' HD13 ' A' ' 44' ' ' LEU . 50.0 mt -47.09 -25.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 39' ' ' LYS . 10.8 mt-10 -64.41 -40.96 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -104.75 -4.86 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.56 -3.09 29.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 40' ' ' LEU . 46.7 mt -151.04 -46.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.502 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 58.67 59.68 5.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.5 Cg_endo -74.93 -179.18 4.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -87.42 -21.17 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 21.4 t -149.79 106.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.63 99.04 6.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' OE2' ' NH1' ' A' ' 52' ' ' ARG . 4.7 mm-40 -107.31 139.6 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 30.4 tp -152.15 135.87 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' NH1' ' OE2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 2.7 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 9.5 m170 -93.44 126.27 38.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -139.09 179.02 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.27 111.19 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' CG2' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.84 146.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.09 99.29 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 11.0 p -96.07 139.91 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.489 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 98.8 t -133.34 88.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.37 166.6 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 p -83.23 -10.49 58.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -48.45 -43.94 34.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -92.11 46.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.51 81.1 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.79 28.14 36.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.48 171.94 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 166.22 41.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.931 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -26.99 10.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.48 -57.2 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -42.77 -42.32 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 47.4 mtt180 -54.22 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -54.62 -32.28 58.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.584 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -66.72 -41.7 87.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -53.71 33.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.98 -51.01 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.498 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 11.3 m170 -51.47 -36.8 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -63.58 -45.23 91.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.22 -43.77 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.17 61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 26.5 t -76.87 -27.82 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -14.47 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.19 -64.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.498 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.8 mm? -55.67 -20.93 15.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.42 66.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.22 -100.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 t -70.17 124.28 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -110.29 -16.87 13.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . . . -163.21 121.57 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tp -144.18 118.29 9.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.26 95.97 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.479 HD11 ' CD2' ' A' ' 90' ' ' HIS . 10.8 mt -80.01 137.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.49 96.18 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.37 109.25 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -131.75 -178.23 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 165.52 18.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.04 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.01 -17.6 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -99.79 -35.93 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.565 ' CZ2' HG13 ' A' ' 48' ' ' VAL . 51.8 t-105 -59.57 -29.44 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -65.51 -40.4 92.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.87 -50.72 72.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -144.43 85.96 8.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.05 0.55 8.79 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -81.01 119.99 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.497 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 27.5 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.9 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -46.91 -36.69 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.25 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -58.85 -42.73 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.7 mt -54.04 -48.21 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.36 -62.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.11 -36.05 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 35' ' ' ALA . 8.6 mmtm -69.64 -69.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD11 ' CG1' ' A' ' 89' ' ' VAL . 59.7 mt -48.75 -23.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 7.8 mt-10 -64.63 -42.81 95.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.69 -3.48 23.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -98.69 -10.38 23.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.6 mt -143.1 -47.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.518 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 13.2 p 63.71 58.27 1.88 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 -23.4 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 25.8 t -145.45 108.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.91 101.57 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 6.1 mm-40 -115.6 127.31 55.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 33' ' ' GLU . 1.6 tt -125.99 142.33 51.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 0.7 OUTLIER -67.88 100.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.631 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' HB2' ' CD1' ' A' ' 104' ' ' LEU . 2.0 m-85 -119.27 177.46 4.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.25 109.44 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.72 151.2 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.543 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.16 99.62 5.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.49 HG13 ' CE2' ' A' ' 77' ' ' PHE . 8.1 p -94.94 138.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.6 t -132.7 89.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.04 166.62 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.45 -3.22 58.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -38.83 85.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CE2' HG13 ' A' ' 72' ' ' VAL . 6.8 m-85 -87.59 38.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -85.26 89.08 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.16 -38.32 3.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.498 ' CE ' ' CD1' ' A' ' 88' ' ' LEU . 5.8 mmm -37.4 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.81 158.86 21.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.29 11.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.29 -49.33 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -53.71 -38.83 64.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 44.8 mtt180 -48.69 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -53.02 -41.43 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD1' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -60.91 -39.34 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.456 ' CG1' HD11 ' A' ' 40' ' ' LEU . 6.3 t -76.86 -39.43 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.474 ' CD2' HD13 ' A' ' 106' ' ' ILE . 11.1 m170 -64.18 -42.94 96.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.28 -48.27 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.5 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.63 60.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' HIS . 37.3 t -74.99 -17.94 60.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.88 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.96 -58.03 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 HD12 ' CG1' ' A' ' 101' ' ' VAL . 2.3 mm? -57.96 -29.52 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.43 66.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.15 -102.17 0.17 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -74.95 -46.45 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.459 ' CG1' HD12 ' A' ' 97' ' ' LEU . 71.1 t -86.6 130.56 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -111.84 -50.03 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 67' ' ' HIS . . . -128.94 107.43 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -118.88 121.03 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 69' ' ' ARG . . . -85.43 95.44 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 90' ' ' HIS . 10.8 mt -87.2 145.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.38 96.5 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.74 109.25 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -134.1 163.18 30.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -98.79 164.61 16.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.39 8.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.25 -20.41 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -95.83 -41.38 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.546 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 53.9 t-105 -54.11 -34.4 60.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -60.36 -50.38 73.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -57.46 12.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -135.03 82.64 42.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.546 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.95 -7.8 19.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.93 121.59 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.543 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 22.4 tt0 -46.82 -53.95 10.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.6 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.58 79.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.3 mt -49.42 -40.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -62.59 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.4 -36.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mmtt -69.03 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.413 HD21 ' CD2' ' A' ' 93' ' ' LEU . 96.8 mt -49.08 -23.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' LYS . 8.9 mt-10 -65.27 -41.37 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.14 -3.59 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -102.26 -0.14 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -151.56 -46.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.522 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.83 57.99 2.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.4 Cg_endo -74.98 173.06 15.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.807 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.12 -18.7 26.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 25.2 t -150.09 104.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.76 92.25 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -97.86 133.65 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 19.2 tp -144.45 138.74 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 6.9 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.13 118.04 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -133.13 175.06 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -151.25 116.74 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 p -121.0 131.25 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -112.02 99.42 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG11 ' CE2' ' A' ' 77' ' ' PHE . 9.8 p -93.26 141.29 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 114' ' ' TRP . 99.3 t -133.61 96.34 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -147.61 167.45 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -80.12 -16.21 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.62 -36.75 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CE2' HG11 ' A' ' 72' ' ' VAL . 9.6 m-85 -97.59 43.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -85.28 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.72 20.09 75.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.466 ' HE2' ' CD1' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -83.0 161.16 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.39 164.98 9.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.45 2.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.66 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -43.39 -44.63 5.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -47.95 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -58.23 -33.42 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.25 -55.5 33.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.466 ' CD1' ' HE2' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.99 -38.86 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.2 t -79.21 -57.16 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.536 ' CD2' HD11 ' A' ' 97' ' ' LEU . 41.0 m170 -48.53 -28.27 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -46.14 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.91 71.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.413 ' CD2' HD21 ' A' ' 40' ' ' LEU . 2.4 mm? -117.26 61.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -80.9 -23.59 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.25 -14.2 47.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -79.43 -35.22 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 90' ' ' HIS . 0.7 OUTLIER -101.85 5.78 41.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.4 36.77 4.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.472 ' CG1' HD22 ' A' ' 97' ' ' LEU . 8.1 t -57.15 130.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.589 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -112.7 -15.39 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.23 99.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.419 ' CB ' HG12 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -115.47 124.32 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 69' ' ' ARG . . . -84.25 100.3 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.8 mt -89.42 143.73 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.72 97.26 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.49 111.98 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.06 -177.07 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -119.08 164.0 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.85 -14.8 14.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.92 -35.87 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.611 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 52.8 t-105 -60.07 -29.01 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -61.91 -50.34 72.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.19 -52.6 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -135.91 85.42 29.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.611 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.782 . . . . 0.0 111.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.25 172.57 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 26.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -40.03 -49.08 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.84 -61.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.48 74.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -49.06 -57.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -62.65 -62.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.4 mmtm -69.26 -70.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -48.05 -24.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.6 mt-10 -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -105.05 -2.92 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -96.49 -29.1 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.8 mt -125.37 -43.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.52 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.36 58.34 3.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.5 Cg_endo -75.0 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.14 -22.63 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.521 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 29.7 t -143.72 107.11 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.13 101.99 8.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.0 mm-40 -119.48 125.18 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 1.7 tt -123.39 143.11 50.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 104.3 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.552 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -120.38 163.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.76 101.01 3.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.493 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 1.3 p -104.77 149.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.462 ' CB ' HD22 ' A' ' 120' ' ' LEU . . . -126.19 99.6 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.475 HG13 ' CE2' ' A' ' 77' ' ' PHE . 9.4 p -97.47 140.83 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 114' ' ' TRP . 95.9 t -135.15 94.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.26 158.7 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -79.18 3.15 18.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -41.02 92.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 4.6 m-85 -90.45 42.24 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.56 87.5 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.81 -36.1 4.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.463 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.2 mmm -41.73 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.81 161.16 73.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.06 11.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.13 -54.35 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -48.85 -34.7 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mtt180 -53.75 -69.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -48.37 -44.67 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -49.69 -51.05 41.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.463 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.82 -45.96 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG1' HD11 ' A' ' 106' ' ' ILE . 42.4 t -70.98 -55.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 94' ' ' SER . 12.7 m170 -48.19 -44.28 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.37 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.16 83.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -116.4 62.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 39.3 t -67.91 -45.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.49 -39.45 76.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.34 -55.93 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.448 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.3 mm? -68.85 -30.93 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 74.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.84 -94.31 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.2 t -77.25 127.02 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -101.74 -50.78 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.44 104.4 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.461 ' HG ' ' CG1' ' A' ' 106' ' ' ILE . 0.5 OUTLIER -115.42 112.4 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.37 98.41 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.461 ' CG1' ' HG ' ' A' ' 104' ' ' LEU . 14.9 mt -91.05 145.47 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -118.05 97.57 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.09 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -133.3 169.09 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 111' ' ' PRO . 9.1 p -109.57 167.7 8.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.02 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.75 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -85.49 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.522 ' CD2' HG22 ' A' ' 73' ' ' VAL . 72.6 t-105 -50.38 -39.05 45.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -54.61 -45.52 73.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -58.23 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.75 83.82 18.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.44 132.15 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 71' ' ' ALA . 6.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ALA . 10.6 tt0 -48.87 -59.63 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLU . . . -39.72 -53.76 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.73 -55.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' CG1' ' OE2' ' A' ' 96' ' ' GLU . 37.1 mt -41.0 -50.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' GLU . 6.9 ttt180 -72.56 -64.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.04 -33.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.0 mmtt -70.13 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' HG11 ' A' ' 89' ' ' VAL . 46.3 mt -51.29 -22.47 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.2 mt-10 -64.23 -43.77 93.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -104.64 -3.82 23.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -99.71 -4.53 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -150.31 -46.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.504 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.76 59.75 4.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.02 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.38 -21.57 21.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 21.9 t -149.35 103.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.43 86.36 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -92.96 140.16 29.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' CD2' ' CG ' ' A' ' 33' ' ' GLU . 7.8 tp -151.72 136.06 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.577 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 4.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -77.2 125.42 29.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -141.78 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 112.47 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.405 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -115.53 148.44 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.451 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -131.92 99.76 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.477 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 7.6 p -94.98 139.71 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 114' ' ' TRP . 95.4 t -133.13 92.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.15 165.02 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.7 p -85.37 -1.11 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -42.29 93.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 14.4 m-85 -88.39 39.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.79 106.4 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.28 45.62 92.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -172.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -92.26 166.94 16.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.07 4.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' GLN . 4.1 mm? -70.42 -67.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.0 mt-30 -35.75 -49.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 89.6 mtt180 -46.97 -67.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -56.5 -36.12 68.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -60.02 -42.73 94.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.91 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.466 HG11 ' CD2' ' A' ' 40' ' ' LEU . 96.6 t -59.55 -55.66 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.545 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 23.0 m170 -50.85 -46.83 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.83 -37.94 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.11 -38.01 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 40' ' ' LEU . 2.4 mm? -113.93 58.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.6 t -75.79 -12.23 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.81 -32.46 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.43 ' OE2' ' CG1' ' A' ' 36' ' ' ILE . 6.2 mm-40 -62.38 -63.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.545 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.3 mm? -55.86 -25.93 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.62 64.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.99 -102.5 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.46 117.41 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.577 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -111.73 -15.95 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -163.32 101.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.28 118.45 24.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.06 102.19 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.405 HG23 ' CG1' ' A' ' 70' ' ' VAL . 8.8 mt -86.87 137.36 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.412 ' NE2' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -110.54 96.09 5.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.54 110.21 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -132.68 -179.96 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.5 166.0 13.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.07 8.15 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.51 -30.82 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -87.73 -41.09 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.595 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 28.5 t-105 -51.43 -24.62 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -64.39 -50.28 68.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.59 -38.92 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.74 94.98 1.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.595 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.98 -1.61 11.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -91.52 121.32 33.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.451 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 9.7 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 5.8 tt0 -48.84 -60.48 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.28 -49.19 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -58.36 -55.1 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.4 mt -39.57 -42.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.93 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.81 -35.29 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -69.03 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.44 HD11 ' CG1' ' A' ' 89' ' ' VAL . 34.7 mt -49.71 -23.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.03 -41.21 97.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -105.17 -3.22 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.15 -5.47 27.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD12 ' CD2' ' A' ' 40' ' ' LEU . 21.6 mt -148.66 -46.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 9.8 p 61.21 57.78 3.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.1 Cg_endo -75.03 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.45 -17.52 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 12.0 t -149.61 107.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.37 87.68 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -96.41 143.64 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 43.7 tp -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 71.6 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 2.1 m170 -85.36 96.33 9.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -111.45 175.42 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -154.33 109.61 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.16 137.82 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.555 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -118.23 98.89 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -93.03 135.25 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.525 HG22 ' CD2' ' A' ' 114' ' ' TRP . 82.0 t -130.11 85.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.08 166.91 20.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.3 p -89.7 -3.39 58.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -28.64 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 15.1 m-85 -97.5 39.67 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.72 94.5 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.31 -40.33 2.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 88' ' ' LEU . 2.4 mmm -37.96 149.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 0.774 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 82' ' ' PRO . 0.5 OUTLIER -59.24 173.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 81' ' ' SER . 18.3 Cg_endo -75.03 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -58.87 3.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -38.7 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 57.9 mtt180 -58.12 -68.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -49.63 -40.61 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.04 -54.73 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' CD1' ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -47.79 -33.16 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.46 ' CG1' HD12 ' A' ' 106' ' ' ILE . 41.4 t -82.86 -54.84 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.572 ' CD2' HD11 ' A' ' 97' ' ' LEU . 48.5 m170 -50.64 -41.55 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -45.81 92.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.9 80.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -116.91 61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -80.04 -40.85 26.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.952 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -14.58 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.48 -35.13 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -103.98 7.28 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.58 40.13 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.79 -76.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.1 Cg_endo -75.05 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.17 145.48 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 3.2 m-70 -114.23 -55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . . . -129.44 102.91 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 2.1 tp -115.17 113.62 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.2 98.57 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.46 HD12 ' CG1' ' A' ' 89' ' ' VAL . 9.1 mt -84.43 145.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.423 ' N ' HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -119.65 96.41 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -92.8 109.9 21.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -135.85 171.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.4 164.63 14.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.556 1.819 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.04 -15.88 14.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -100.89 -36.92 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.552 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 59.6 t-105 -57.5 -31.34 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -63.91 -49.64 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.82 -51.59 66.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -144.87 87.03 7.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.552 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.5 Cg_endo -74.97 -19.91 17.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.92 114.17 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.555 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 9.3 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 4.9 tt0 -49.95 -54.81 17.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.39 -47.13 26.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -41.89 -40.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -82.44 -60.95 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.98 -33.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.9 mmtt -69.76 -71.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD1' HG11 ' A' ' 89' ' ' VAL . 28.9 mt -50.1 -23.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.57 -42.23 95.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -104.75 -3.86 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.05 -4.18 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.431 HD11 ' CD2' ' A' ' 40' ' ' LEU . 29.5 mt -150.29 -46.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.513 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.73 59.25 4.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.07 -178.12 3.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 5.2 mm-40 -88.37 -20.33 25.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.477 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 16.0 t -151.72 102.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.78 82.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -88.12 144.38 26.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 9.7 tp -152.17 135.4 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.073 . . . . 0.0 110.297 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.79 126.9 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 30.8 m-85 -146.89 170.16 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.49 111.76 7.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.29 144.7 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.64 99.86 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 12.4 p -94.0 139.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 114' ' ' TRP . 76.1 t -132.38 86.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.9 165.39 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -84.11 -5.87 59.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.39 -41.88 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -94.46 46.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.83 62.4 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.94 -14.65 12.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 76' ' ' ARG . 16.4 mtp -46.91 173.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.71 162.09 69.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.0 13.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.18 -48.74 8.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' ARG . 64.2 mt-30 -51.35 -50.5 59.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.8 mtt180 -39.18 -63.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.65 -35.23 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLN . 19.8 ttt180 -62.65 -47.6 83.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.49 -52.07 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 40' ' ' LEU . 75.8 t -64.82 -58.18 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 22.1 m170 -45.09 -57.79 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -42.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.63 -41.89 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' HIS . 3.2 mm? -115.88 63.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.6 t -77.31 -40.42 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.81 -30.67 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 7.7 mm-40 -61.77 -58.96 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD12 ' CG1' ' A' ' 101' ' ' VAL . 1.5 mm? -60.26 -27.62 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.58 62.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.36 -102.4 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.417 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -75.0 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 104' ' ' LEU . 21.4 t -79.96 113.28 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 12.6 m170 -97.22 -35.69 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.31 109.95 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -126.9 124.81 40.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.415 ' N ' HD13 ' A' ' 104' ' ' LEU . . . -79.44 101.12 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 90' ' ' HIS . 33.2 mt -85.81 141.76 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -118.24 98.93 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -98.07 117.08 31.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.62 -174.3 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 p -121.58 163.46 30.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.63 -20.68 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -98.87 -36.3 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.55 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 27.3 t-105 -58.45 -27.53 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.85 -58.18 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -134.49 82.11 46.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.55 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -86.2 121.18 28.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 39.9 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -45.28 -56.5 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.11 -50.21 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.35 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -43.83 -39.07 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 15.0 ttp-105 -81.29 -65.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.14 -32.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.5 mmtt -69.47 -71.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 44' ' ' LEU . 61.3 mt -50.04 -23.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.15 -45.79 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -105.29 -3.04 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.59 0.29 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 40' ' ' LEU . 82.7 mt -152.65 -46.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.531 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 64.12 57.58 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.03 -23.11 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.564 HG12 ' CZ2' ' A' ' 114' ' ' TRP . 45.4 t -147.25 107.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -114.68 94.56 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.3 131.04 46.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.2 tp -144.97 134.96 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 51' ' ' LEU . 34.1 mmm-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.8 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.73 115.27 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.58 171.24 13.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.53 108.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.71 144.9 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.34 99.96 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.49 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 11.4 p -96.74 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.505 HG22 ' CD2' ' A' ' 114' ' ' TRP . 89.7 t -138.18 92.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -142.43 164.54 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -80.23 -19.02 47.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -42.11 -38.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CE2' HG12 ' A' ' 72' ' ' VAL . 12.6 m-85 -94.17 44.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 97.28 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.38 24.22 72.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.437 ' HE2' ' CD1' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -86.13 157.9 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 0.81 . . . . 0.0 111.031 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.71 160.74 7.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.9 -42.54 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.74 -41.46 77.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -51.11 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.09 -30.05 61.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -57.96 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.437 ' CD1' ' HE2' ' A' ' 80' ' ' MET . 0.0 OUTLIER -44.04 -34.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.422 ' CG1' HD13 ' A' ' 40' ' ' LEU . 59.0 t -83.21 -57.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.559 ' CD2' HD13 ' A' ' 97' ' ' LEU . 48.4 m170 -47.53 -36.57 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -44.53 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 -42.49 70.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.75 63.83 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.6 OUTLIER -81.76 -32.6 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.29 -23.02 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.21 -39.79 71.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -99.67 7.18 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -122.72 43.32 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.6 -78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.4 Cg_endo -74.94 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.1 t -63.91 140.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 29.6 m170 -111.55 -54.03 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.55 103.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 1.1 tp -116.36 120.35 38.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.34 99.5 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.9 mt -86.33 140.79 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.92 96.29 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.83 114.59 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.11 -179.07 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 p -118.65 164.29 21.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.73 -14.16 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -103.16 -34.98 8.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 59.1 t-105 -60.67 -35.99 77.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 107.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 15.6 mtp-105 -60.74 -42.14 96.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.42 -51.17 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.09 81.89 15.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -3.16 13.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.426 1.75 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -80.79 120.95 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 25.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.03 137.15 37.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 0.736 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.05 169.86 16.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.48 -60.71 0.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.9 p -43.58 152.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -95.12 105.29 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 -157.31 33.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.9 143.99 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.18 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 m 45.24 78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.66 116.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -67.25 120.15 13.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.6 m -89.14 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.3 t 62.67 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p 179.83 101.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 157.29 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.97 -77.43 0.26 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t -125.26 110.76 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.68 129.53 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.97 56.57 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.96 166.04 15.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.55 147.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 149.82 49.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.78 -172.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.53 -167.72 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.35 11.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.803 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -77.26 -60.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 28.1 tt0 -50.87 -58.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.66 -53.1 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -55.38 26.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.6 mt -42.05 -36.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.34 -35.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -69.02 -71.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.3 mt -48.34 -24.27 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 39' ' ' LYS . 6.0 mt-10 -62.81 -43.65 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -104.1 -3.5 24.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -100.6 -3.64 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -150.69 -46.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.509 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 15.0 p 60.15 59.45 4.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.2 Cg_endo -75.01 -179.3 4.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.4 -20.83 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 15.0 t -150.7 107.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.84 96.77 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -104.71 140.48 37.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HG ' ' CG ' ' A' ' 33' ' ' GLU . 29.2 tp -150.19 140.38 22.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.26 169.79 22.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -95.11 122.87 38.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -89.65 -64.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t 38.78 69.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.45 118.45 0.83 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.01 -92.16 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -54.09 -173.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.639 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.49 73.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 58' ' ' HIS . 10.2 m -123.08 144.41 43.24 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.29 35.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.449 1.763 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.29 142.75 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.4 -27.33 8.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.36 111.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -110.41 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -99.79 -39.46 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.03 125.28 42.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.66 161.69 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.28 123.1 21.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.14 147.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 120' ' ' LEU . . . -125.06 99.49 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 7.5 p -96.54 137.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.506 HG22 ' CD2' ' A' ' 114' ' ' TRP . 85.7 t -130.03 87.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.51 163.62 28.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 p -81.36 -15.72 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -46.12 -42.27 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.5 42.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.38 94.93 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.6 41.75 93.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.16 179.43 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.32 159.12 75.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.81 11.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.19 -49.06 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -50.55 -48.04 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 85.9 mtt180 -45.91 -64.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.04 -45.12 67.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -50.3 -50.38 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.59 -57.1 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.63 -58.14 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.475 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 13.9 m170 -43.69 -42.03 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.64 76.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.87 89.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 2.3 mm? -112.21 59.61 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.16 -34.97 68.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.29 -30.26 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 8.3 mm-40 -63.87 -53.07 56.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.475 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.5 mm? -70.14 -16.94 63.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.39 62.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.86 -96.44 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 104' ' ' LEU . 6.5 t -74.93 127.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -166.14 111.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.443 ' HB3' ' CG1' ' A' ' 101' ' ' VAL . 0.2 OUTLIER -130.44 128.94 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.48 ' CB ' ' CZ ' ' A' ' 69' ' ' ARG . . . -74.6 99.57 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.4 HG12 ' CD1' ' A' ' 104' ' ' LEU . 37.8 mt -87.44 126.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.84 103.34 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -100.41 105.72 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -127.03 -176.93 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 164.13 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.86 8.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.78 -35.38 7.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -82.7 -42.03 18.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.528 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 63.0 t-105 -50.56 -46.37 57.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -52.05 -37.34 53.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -54.88 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -133.85 77.49 62.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.528 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.94 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -84.04 117.98 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.471 ' CD2' ' HB1' ' A' ' 71' ' ' ALA . 9.6 mt -83.53 -176.56 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.03 73.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 24.9 pt -103.9 -9.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.8 153.26 25.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.84 23.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 80.23 2.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.8 t -128.15 58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.55 171.32 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.49 83.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m 65.55 170.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.94 -169.36 12.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.43 169.96 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.4 p -134.61 167.36 20.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.32 -174.46 13.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -156.58 163.53 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.3 -177.9 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -125.93 160.93 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.6 160.58 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.3 169.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 115.32 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.8 m -43.45 137.3 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -166.81 126.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 57.62 164.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.48 145.64 16.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -175.67 169.58 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.43 157.13 4.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.8 154.52 25.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -101.96 140.59 36.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.36 171.97 16.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.15 87.5 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.29 -167.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -166.69 21.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.98 10.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -79.36 -59.74 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 4.0 tt0 -48.68 -52.28 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.39 -45.25 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.01 75.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.4 mt -45.63 -35.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.08 -34.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.7 mmtt -69.13 -71.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 93' ' ' LEU . 92.2 mt -47.97 -25.82 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.09 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -104.54 -3.59 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.14 -5.4 25.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.8 mt -150.21 -46.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.82 59.67 4.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.2 Cg_endo -75.03 179.48 6.06 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.75 -20.51 27.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.49 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 21.5 t -150.51 105.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.42 87.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -94.21 139.29 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 70' ' ' VAL . 31.1 tp -152.34 134.42 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -144.71 172.8 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -99.36 121.15 40.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -91.86 -64.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 p 39.43 79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.34 125.95 1.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.73 54.83 0.91 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.553 ' CE1' HG22 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -179.32 136.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.604 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.38 70.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.553 HG22 ' CE1' ' A' ' 58' ' ' HIS . 4.2 m -119.14 157.14 51.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 175.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.4 55.9 2.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 p -103.25 126.13 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -120.42 55.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.6 p -99.92 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.47 139.2 40.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 5.5 m-85 -152.53 163.14 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -137.61 118.98 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -119.39 148.07 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.537 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -128.54 99.64 5.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 10.9 p -96.42 140.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 114' ' ' TRP . 99.1 t -133.81 86.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.54 163.67 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -83.11 -5.96 59.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -39.52 69.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 12.0 m-85 -89.02 38.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 92.9 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.3 34.24 89.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.25 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -69.88 155.33 93.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.57 -46.16 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.85 -51.53 65.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.561 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 76.9 mtt180 -40.31 -62.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.93 -42.27 84.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.641 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -46.75 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -45.12 69.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.3 t -71.59 -50.68 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.494 ' CD2' HD13 ' A' ' 97' ' ' LEU . 51.7 m170 -52.82 -45.25 67.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -45.45 72.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.78 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.464 ' CD2' HD22 ' A' ' 40' ' ' LEU . 1.1 mm? -112.43 61.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -83.11 -32.56 26.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.64 -11.48 59.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 101' ' ' VAL . 40.6 mm-40 -82.3 -37.45 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 90' ' ' HIS . 1.2 mt -99.54 4.22 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.15 39.87 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.81 -75.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.47 ' CG1' HD23 ' A' ' 97' ' ' LEU . 4.6 t -60.0 137.13 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -112.04 -26.15 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -174.07 115.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -130.6 135.14 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.488 ' CB ' ' CZ ' ' A' ' 69' ' ' ARG . . . -80.2 100.92 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.7 mt -85.14 137.6 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.44 96.52 6.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.18 101.45 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.69 173.07 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.71 165.27 13.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.57 8.72 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.62 -29.43 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -88.13 -44.92 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.598 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 60.5 t-105 -48.65 -35.85 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -58.89 -49.33 78.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -56.39 21.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.44 85.7 17.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.598 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -15.33 20.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.69 119.37 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.537 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 17.9 mt -83.06 177.65 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.85 64.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.82 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.9 m -70.18 151.77 95.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 153.48 41.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.19 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.21 120.73 37.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 mt 61.41 58.23 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 t 61.2 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -156.04 138.71 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.11 112.84 3.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -91.75 149.77 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 109.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.0 p -153.33 88.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.07 -75.68 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.3 ttt 56.32 94.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 152.71 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 m -44.08 135.83 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 144.58 25.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.43 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.957 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 57.92 77.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.6 m -128.63 -48.94 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.5 p 40.12 89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -148.94 116.06 6.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.47 117.97 1.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -172.93 86.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.92 78.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.88 -86.94 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -136.2 -56.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -166.46 -54.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 172.95 168.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.14 -175.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -161.7 -164.13 15.99 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.49 10.86 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -77.24 -60.93 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 7.7 tt0 -49.22 -58.01 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.0 -51.15 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.18 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.6 mt -40.34 -45.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NE ' ' CD ' ' A' ' 41' ' ' GLU . 3.7 ttp180 -74.11 -63.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.3 -36.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.6 mmtt -68.68 -71.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 93' ' ' LEU . 82.9 mt -48.05 -25.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' NE ' ' A' ' 37' ' ' ARG . 19.6 mt-10 -62.97 -42.03 99.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -104.81 -3.72 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -98.88 -7.35 27.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.2 mt -147.34 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.516 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.6 59.11 3.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.03 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.16 -20.36 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 21.2 t -150.6 104.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.28 87.61 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -92.91 140.86 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 3.8 tp -149.29 131.9 15.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' N ' HD12 ' A' ' 51' ' ' LEU . 25.1 mmm-85 -149.52 174.98 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -114.26 136.84 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 55' ' ' SER . 6.1 mm-40 -105.79 -61.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 34.6 t 38.17 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.14 -61.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -37.39 -76.79 0.06 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.572 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -46.65 152.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.576 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.56 60.98 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 58' ' ' HIS . 29.2 m -115.23 154.07 47.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.03 9.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.27 150.3 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.2 49.03 5.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -124.4 123.63 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -114.36 55.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.2 p -112.45 -42.87 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 5.9 m170 -94.47 112.07 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -126.62 175.19 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HG2' ' CG2' ' A' ' 122' ' ' ILE . 0.1 OUTLIER -152.46 114.23 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.09 141.93 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -123.26 99.87 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 77' ' ' PHE . 10.3 p -94.41 143.41 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.519 HG22 ' CD2' ' A' ' 114' ' ' TRP . 87.7 t -134.74 86.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.22 163.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -84.62 -8.0 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 5.0 mmp_? -54.79 -37.8 66.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.532 ' CE2' HG12 ' A' ' 72' ' ' VAL . 9.0 m-85 -89.9 39.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.09 80.15 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.72 30.94 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 88' ' ' LEU . 7.6 mtp -91.66 162.3 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 m -66.19 159.47 71.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -24.45 12.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.71 -44.28 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.21 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -44.39 -62.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -60.95 -35.2 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.591 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.85 -45.01 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.466 ' CD1' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -50.14 -52.62 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.4 t -65.0 -56.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 57.5 m170 -46.86 -42.77 17.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.29 -39.35 75.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.25 -41.53 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.473 ' CD2' HD23 ' A' ' 40' ' ' LEU . 3.3 mm? -118.68 64.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.6 OUTLIER -83.09 -32.05 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -14.39 59.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.448 ' CG ' HD11 ' A' ' 93' ' ' LEU . 5.8 mm-40 -77.63 -30.57 52.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -105.36 7.96 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.1 62.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.03 -70.34 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.5 t -81.91 151.46 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 2.0 m-70 -126.97 -51.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.444 ' HB1' ' CD2' ' A' ' 67' ' ' HIS . . . -126.38 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 1.3 tp -117.19 112.65 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.4 99.89 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.419 HD12 ' NE2' ' A' ' 90' ' ' HIS . 27.1 mt -89.44 142.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.73 96.48 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.84 105.69 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.06 169.22 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.3 164.81 14.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.59 -14.6 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -103.89 -34.31 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.519 ' CD2' HG22 ' A' ' 73' ' ' VAL . 34.9 t-105 -63.13 -28.6 70.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 107.987 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -66.25 -50.98 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.05 -43.29 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -147.84 84.25 7.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.0 124.45 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 13.1 mt -88.14 -175.89 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.01 58.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.406 ' CG2' ' HG2' ' A' ' 69' ' ' ARG . 11.3 pt -90.0 -29.16 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.5 p -159.54 147.18 13.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.79 15.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.55 4.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.801 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 57.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -177.84 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -155.77 -59.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 160.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.95 132.27 2.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -169.08 126.17 0.95 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.04 154.25 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.16 54.71 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 mtm -131.69 152.55 50.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.85 109.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.9 t -52.73 144.91 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.36 159.82 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 p -59.7 141.38 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.18 119.76 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.9 m -73.0 77.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.61 118.46 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.29 168.28 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.34 125.4 0.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.4 m -127.59 122.77 34.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 178.49 127.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.65 150.63 10.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t 179.6 91.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -167.21 179.7 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.73 155.75 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.86 -171.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.16 -166.78 12.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.16 9.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -76.35 -61.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 6.1 tt0 -47.76 -58.46 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.92 -48.72 5.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -57.88 -54.47 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 22.2 mt -39.72 -41.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -84.35 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.8 mmtt -68.24 -71.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 89' ' ' VAL . 64.6 mt -45.69 -28.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -60.69 -41.28 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' LYS . 12.3 pt20 -104.79 -3.11 23.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -98.2 -33.96 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 40' ' ' LEU . 39.7 mt -121.78 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 56.63 58.76 8.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.2 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -88.85 -20.65 24.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 16.4 t -149.83 103.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.34 83.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.35 138.72 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 24.8 tp -151.14 135.61 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.14 165.39 29.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -91.28 117.6 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.64 -36.46 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -39.63 106.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.55 102.43 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.04 -57.99 0.7 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -48.96 154.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.63 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.14 78.8 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.562 HG22 ' CE1' ' A' ' 58' ' ' HIS . 6.2 m -139.11 158.48 69.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.03 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -41.83 153.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.2 24.98 53.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -94.66 110.29 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.43 56.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.7 p -111.45 -10.82 14.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -118.46 129.0 55.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 16.1 m-85 -153.57 165.58 35.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -141.82 117.59 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -116.06 147.33 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.469 ' HB3' ' CD2' ' A' ' 120' ' ' LEU . . . -128.75 99.58 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 13.2 p -94.67 136.4 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.498 HG23 ' CD2' ' A' ' 114' ' ' TRP . 86.8 t -130.38 86.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.49 165.16 24.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.9 p -88.02 1.95 52.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.8 -41.09 97.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 10.7 m-85 -87.12 38.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.71 75.16 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.38 27.12 8.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.424 ' CE ' HD13 ' A' ' 88' ' ' LEU . 5.0 mtt -96.16 157.11 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.44 170.9 6.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.24 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.64 -54.39 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -46.26 -54.76 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 82.2 mtt180 -43.24 -65.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.77 -54.61 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -46.88 -43.61 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 40' ' ' LEU . 65.5 t -72.77 -55.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.562 ' CD2' HD13 ' A' ' 97' ' ' LEU . 63.2 m170 -47.62 -37.03 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.59 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.2 -40.02 62.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.53 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.3 p -75.6 -48.18 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.54 -13.42 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -78.57 -44.31 24.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.562 HD13 ' CD2' ' A' ' 90' ' ' HIS . 0.9 OUTLIER -97.02 4.42 51.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -119.02 40.02 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.66 -82.51 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.534 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -74.96 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.418 ' CG1' HD21 ' A' ' 97' ' ' LEU . 5.1 t -60.37 137.4 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 39.5 m170 -114.2 -37.19 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.39 120.68 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.34 130.21 28.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.49 100.23 9.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.8 mt -86.51 129.78 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.26 100.79 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.48 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -130.71 172.47 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.47 166.66 10.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.69 -28.08 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.96 -40.53 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.566 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 69.8 t-105 -52.09 -37.28 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 16.4 mtp-105 -57.14 -51.96 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -55.76 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -140.2 86.12 13.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.566 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.95 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -84.38 119.99 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 71' ' ' ALA . 16.5 mt -82.68 -179.09 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.61 99.59 4.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.73 -75.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 p -126.85 144.35 49.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.67 9.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 84.4 m -139.06 86.03 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.78 -60.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 142.11 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 t -147.71 91.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.98 75.87 0.1 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 133.87 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.795 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -155.88 98.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.0 76.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.66 114.08 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.739 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.95 146.67 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.4 m -140.19 133.6 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 161.03 23.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 p -169.61 131.88 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.93 113.48 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.278 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 19' ' ' VAL . 20.6 m -119.6 71.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.53 -54.9 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 174.75 169.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.81 134.6 2.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.52 -60.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.2 139.99 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.71 164.9 11.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.65 121.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -150.82 174.87 12.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.56 175.76 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.23 -172.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.73 -167.7 27.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -18.81 18.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -77.79 -65.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -48.15 -46.26 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -60.24 -46.2 90.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.24 -38.8 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.64 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.5 -33.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtp -68.93 -71.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 89' ' ' VAL . 51.4 mt -48.33 -24.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' LYS . 4.2 mt-10 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -104.59 -5.45 21.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -96.37 -25.83 15.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.98 -45.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.515 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.29 59.1 3.29 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.4 Cg_endo -74.96 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.16 -20.49 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG12 ' CZ2' ' A' ' 114' ' ' TRP . 21.8 t -149.41 107.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -120.91 104.41 9.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.31 150.7 39.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -144.44 148.82 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' N ' HD23 ' A' ' 51' ' ' LEU . 1.1 tpt180 -163.91 160.23 21.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -96.19 157.68 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -127.0 -56.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.89 -57.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.54 -79.25 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.47 40.93 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.6 ' CD2' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -75.91 -178.08 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.42 88.38 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.6 HG21 ' CD2' ' A' ' 58' ' ' HIS . 6.6 m -140.53 159.09 64.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -39.58 134.11 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.4 58.21 2.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.77 139.95 50.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.87 50.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 82.1 p -88.97 -77.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.414 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.2 t-80 -54.19 101.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -121.74 159.09 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -133.11 121.15 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 106' ' ' ILE . 1.4 p -123.92 140.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -118.57 99.73 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -95.78 139.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.516 HG21 ' CD2' ' A' ' 114' ' ' TRP . 93.3 t -132.6 88.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.14 165.7 24.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.6 p -86.62 -5.42 59.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -55.43 -35.69 65.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -94.46 42.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 83.45 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.1 -25.48 28.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.6 166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 168.6 26.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.95 10.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.8 -51.17 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -48.59 -38.89 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.6 mtt180 -52.95 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 12.1 m170 -56.73 -31.75 64.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -66.45 -38.65 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -48.44 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.461 HG12 ' CD2' ' A' ' 40' ' ' LEU . 61.3 t -70.24 -40.22 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 86' ' ' HIS . 41.3 m170 -61.53 -38.01 85.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -47.42 85.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.48 57.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 1.7 mm? -114.38 60.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.8 OUTLIER -80.98 -28.35 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -83.69 -11.49 57.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 73.7 mm-40 -79.5 -38.04 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 90' ' ' HIS . 1.2 mt -99.47 3.5 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.63 39.26 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.46 -77.84 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' HD23 ' A' ' 97' ' ' LEU . 14.3 t -58.51 142.17 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 34.7 m170 -115.12 -37.46 4.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -162.99 108.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -123.34 133.22 54.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.45 101.33 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.471 HG21 ' CG1' ' A' ' 70' ' ' VAL . 31.8 mt -89.48 121.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.418 ' NE2' HD22 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -93.14 96.87 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.07 108.69 20.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -133.93 156.63 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.75 165.09 21.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.88 -24.46 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.58 -42.76 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 42.0 t-105 -52.11 -27.97 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.61 -46.11 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.55 -52.93 63.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -139.54 80.98 20.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -2.08 12.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -81.86 118.17 22.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.7 mt -83.05 177.47 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -137.62 91.04 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.3 mt -94.02 -53.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.15 137.82 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.02 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 125.53 9.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -178.66 4.33 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.78 147.29 22.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.305 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 125.02 24.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.72 166.46 13.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 -50.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.57 -139.69 32.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.72 164.23 27.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.767 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 t -126.06 151.87 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.36 105.55 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.36 145.22 39.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.41 -63.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 m 51.94 96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -179.27 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 m 55.72 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 t -134.66 74.59 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.86 163.02 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -143.08 150.37 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -57.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.56 -173.62 15.17 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.75 168.93 20.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.57 97.08 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.93 67.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -136.62 154.15 50.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.41 -80.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.66 71.3 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.91 -155.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.55 -170.45 22.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.25 -63.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 43.7 tt0 -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.35 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.37 80.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.3 mt -48.5 -42.7 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -80.9 -64.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.24 -35.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.1 mmtp -69.44 -68.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.6 mt -51.29 -22.49 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.5 -41.85 92.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.83 -3.69 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -103.24 -2.54 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.1 mt -150.77 -46.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.498 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.99 60.03 4.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.0 -178.56 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.19 -20.93 22.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 16.1 t -150.85 105.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.69 89.76 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.84 132.65 45.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' HG ' ' CG ' ' A' ' 33' ' ' GLU . 14.7 tp -139.75 136.7 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.31 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -103.98 135.88 44.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -119.98 -49.26 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -47.1 146.84 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.32 65.06 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.35 75.91 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.646 ' CD2' ' CG2' ' A' ' 60' ' ' VAL . 2.9 p80 -174.29 65.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 52.64 41.6 31.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.646 ' CG2' ' CD2' ' A' ' 58' ' ' HIS . 25.7 m -132.16 154.05 81.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 168.15 25.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.18 166.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.35 37.86 25.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.6 108.03 17.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.764 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -116.91 44.76 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 81.2 p -87.35 -75.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.7 t-160 -55.72 136.81 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.5 m-85 -159.48 157.98 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -133.97 119.82 19.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.02 146.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 120' ' ' LEU . . . -129.22 100.03 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 14.4 p -98.74 140.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.499 HG21 ' CD2' ' A' ' 114' ' ' TRP . 85.0 t -130.5 88.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.25 160.61 37.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.1 p -82.19 -6.98 59.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -37.36 66.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 18.2 m-85 -89.67 39.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.0 104.19 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.44 45.28 96.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.66 169.29 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 167.43 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.53 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.5 tp -75.39 -54.15 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.09 -54.94 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 90.2 mtt180 -45.03 -68.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -50.43 -45.6 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -49.42 -50.12 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -54.39 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.6 -52.95 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 9.9 m170 -48.78 -45.64 40.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.592 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -47.35 81.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.73 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -113.37 60.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.77 -47.43 46.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -22.21 48.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 96' ' ' GLU . 2.4 mp0 -69.87 -58.49 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.45 -14.86 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.72 63.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.37 -96.13 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -65.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.9 t -69.2 133.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -109.01 -37.67 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.7 129.41 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -148.11 130.43 15.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.64 96.86 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mt -80.8 122.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.17 100.66 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -100.81 111.96 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.26 174.24 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -110.33 164.74 14.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.84 8.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.48 -25.19 11.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.614 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 28.1 t-105 -54.89 -22.73 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -65.96 -49.25 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -136.76 85.38 24.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.614 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.01 1.84 7.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.82 173.04 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.447 ' CD2' ' HB1' ' A' ' 71' ' ' ALA . 17.4 mt -142.95 178.07 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -121.49 88.3 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 50.9 mm -93.84 -59.61 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.2 p -162.7 111.04 1.07 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 152.35 40.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 162.53 37.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.04 123.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 mp -121.25 139.03 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 67.15 128.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 149.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.2 173.4 46.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.9 t -163.83 156.82 18.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.05 167.61 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.1 -116.81 0.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 60.8 133.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.21 105.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.5 p -85.31 -176.59 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -122.39 170.71 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -178.05 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -46.96 144.56 2.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.72 154.74 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -99.58 161.83 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.3 157.57 20.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.25 -174.18 31.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.67 167.55 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.14 89.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.98 149.07 4.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -87.51 100.76 13.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -170.44 -61.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.68 72.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -177.04 -169.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.0 -172.16 23.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 111.056 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -72.35 -58.0 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -50.36 -43.47 54.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.58 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.64 74.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.8 mt -48.43 -53.56 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.6 ttt180 -66.85 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 5.1 mmtt -69.37 -70.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.9 mt -48.36 -23.94 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 37' ' ' ARG . 18.2 mt-10 -64.63 -42.56 95.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -105.14 -2.82 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -100.19 -17.79 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.1 mt -135.0 -46.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.522 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 63.52 57.69 1.96 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.1 Cg_endo -75.08 179.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . 2.6 mm-40 -96.35 -18.71 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG12 ' CZ2' ' A' ' 114' ' ' TRP . 45.3 t -146.87 107.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -119.33 109.74 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' ALA . 12.1 mm-40 -125.61 132.33 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 1.4 tt -131.44 146.45 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.7 138.61 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -86.21 99.93 11.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.18 -70.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.511 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 5.2 t 42.79 91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.88 130.54 1.29 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.14 -57.73 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' CG ' HG23 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -45.1 160.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 109.598 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.74 58.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.548 HG23 ' CG ' ' A' ' 58' ' ' HIS . 24.3 m -107.61 157.68 35.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.03 140.12 25.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -40.3 144.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.74 52.16 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 142.76 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 7.6 mp0 -123.38 53.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 58.5 p -95.47 -72.17 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -57.12 113.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.588 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -132.05 171.55 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' NH2' ' CB ' ' A' ' 105' ' ' ALA . 1.9 ttm-85 -150.48 110.22 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -115.38 154.81 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 120' ' ' LEU . . . -131.79 99.6 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.527 ' CG1' ' CE2' ' A' ' 77' ' ' PHE . 9.9 p -96.63 139.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.513 HG23 ' CD2' ' A' ' 114' ' ' TRP . 84.2 t -132.56 100.98 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -151.11 168.8 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.4 p -82.14 -3.94 55.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.07 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.527 ' CE2' ' CG1' ' A' ' 72' ' ' VAL . 10.4 m-85 -100.79 46.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 94.1 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.94 37.04 91.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.46 ' HE3' ' CD1' ' A' ' 88' ' ' LEU . 1.6 mtm -100.59 160.88 13.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.0 157.64 10.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -28.28 9.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.61 -34.42 23.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -66.78 -39.75 87.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -51.98 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.0 -41.93 71.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -51.41 -55.35 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.98 -41.69 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.2 t -74.47 -58.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.523 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 16.2 m170 -46.82 -35.64 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -45.43 93.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.95 -37.63 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 96' ' ' GLU . 3.6 mm? -118.59 60.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.3 t -71.97 -51.86 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -55.43 -25.89 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' HG3' ' CD1' ' A' ' 93' ' ' LEU . 6.6 mm-40 -70.49 -53.56 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 1.5 mm? -73.7 -15.52 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.99 72.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.6 -93.07 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 t -79.3 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -106.21 -42.63 5.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.79 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HG ' ' CG1' ' A' ' 106' ' ' ILE . 0.5 OUTLIER -115.61 118.64 33.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.469 ' CB ' ' NH2' ' A' ' 69' ' ' ARG . . . -78.31 99.24 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.464 HG21 ' CG1' ' A' ' 70' ' ' VAL . 26.2 mt -92.15 140.8 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' CE ' ' A' ' 109' ' ' LYS . 22.4 tt0 -116.62 96.19 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' HA ' ' CG1' ' A' ' 72' ' ' VAL . . . -89.79 109.32 20.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' CE ' ' CG ' ' A' ' 107' ' ' GLN . 6.3 mttt -126.0 170.61 11.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 111' ' ' PRO . 68.2 p -103.7 163.28 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 1.71 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -29.94 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' GLU . 4.5 mt-30 -85.15 -43.75 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.561 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 71.2 t-105 -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -58.49 -47.47 83.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 113' ' ' GLN . 4.4 mm-40 -50.81 -58.68 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -141.18 85.17 12.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.04 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 127.35 33.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.476 HD23 ' CB ' ' A' ' 71' ' ' ALA . 8.7 mt -83.07 177.81 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -141.46 77.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.463 HG12 ' CD ' ' A' ' 69' ' ' ARG . 80.6 mt -88.9 -48.75 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.6 p -91.06 148.96 39.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.81 19.59 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 95.2 m 60.21 68.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.93 137.25 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -174.89 95.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.74 89.48 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.86 152.2 40.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -42.72 132.72 3.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.17 -72.91 0.72 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.1 tpp 57.78 107.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.6 71.23 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 15' ' ' THR . 14.9 t -102.13 109.75 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.72 147.77 45.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.59 81.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 t -104.01 -69.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.4 t 56.89 77.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -159.14 144.64 16.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 160.89 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.19 84.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.046 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -148.71 146.37 28.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.67 -62.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.22 -78.3 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.53 146.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.56 165.61 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.37 165.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -177.8 -175.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.77 167.33 34.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.108 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -23.87 13.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.4 t -81.78 -63.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 20.6 tt0 -45.56 -48.52 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.54 -51.8 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.37 68.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mt -50.7 -36.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -86.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -39.75 -34.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.6 mmtt -68.66 -71.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 93' ' ' LEU . 86.8 mt -47.73 -25.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.6 mt-10 -62.51 -42.02 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -104.97 -3.47 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -95.73 -35.93 11.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -119.5 -42.66 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.44 58.47 4.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.4 Cg_endo -75.03 -177.75 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.04 -20.74 19.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 13.8 t -147.5 100.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.58 92.32 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -97.54 138.42 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' HG ' ' CG ' ' A' ' 33' ' ' GLU . 5.3 tp -150.04 132.54 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' N ' HD11 ' A' ' 51' ' ' LEU . 83.5 mmt-85 -150.22 172.02 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.483 ' ND2' ' CE1' ' A' ' 68' ' ' PHE . 1.3 m120 -98.1 136.8 37.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -104.54 -60.87 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 m 39.6 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.58 -127.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.33 14.76 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.513 ' CD2' ' CG2' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -51.94 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.587 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.47 79.05 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.513 ' CG2' ' CD2' ' A' ' 58' ' ' HIS . 4.5 m -131.65 155.09 81.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.39 31.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.13 155.24 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.44 53.16 42.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -90.89 106.33 18.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -110.62 57.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.3 p -105.07 -57.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.07 110.1 12.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.483 ' CE1' ' ND2' ' A' ' 53' ' ' ASN . 6.0 m-85 -126.18 149.81 48.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -123.06 118.91 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.4 ' CG1' HG22 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -119.32 150.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.478 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -132.25 99.78 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.475 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 14.5 p -95.4 136.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 114' ' ' TRP . 94.1 t -129.74 90.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.406 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.16 159.95 40.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 p -81.25 -9.5 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.075 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.68 -42.82 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.0 m-85 -88.03 41.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.62 74.41 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.13 -26.47 20.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.479 ' CE ' HD12 ' A' ' 88' ' ' LEU . 79.6 mtp -40.54 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 156.61 74.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.13 13.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -83.89 -44.64 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.31 -47.6 83.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 59.2 mtt180 -38.86 -57.49 1.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -56.49 -49.46 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -45.7 -49.04 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.479 HD12 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.69 -46.95 70.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.476 ' CG1' HD12 ' A' ' 40' ' ' LEU . 2.5 t -68.4 -51.34 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 61.6 m170 -49.97 -47.26 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -47.4 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.42 80.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 40' ' ' LEU . 1.5 mm? -112.29 60.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.5 t -80.55 -41.58 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.27 -16.44 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' VAL . 34.8 mm-40 -75.66 -45.5 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 ' CG1' ' A' ' 101' ' ' VAL . 1.5 mt -93.92 1.61 56.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -117.28 42.08 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.17 -80.64 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.434 ' CG1' HD21 ' A' ' 97' ' ' LEU . 3.9 t -61.79 144.1 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -114.5 -46.96 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.92 114.78 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.472 ' CD1' HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -129.68 126.57 38.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.11 105.46 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CD1' ' A' ' 104' ' ' LEU . 8.4 mt -87.86 134.48 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.7 96.65 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 107.81 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -132.91 159.2 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.41 165.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.59 8.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.6 -20.3 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -97.36 -41.13 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.522 ' CD2' HG23 ' A' ' 73' ' ' VAL . 26.1 t-105 -55.75 -31.14 62.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.56 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.46 -54.63 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -137.59 85.14 21.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.496 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.02 -16.84 19.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.91 123.97 20.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.3 mt -92.62 -177.49 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -125.07 85.6 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.79 -66.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -61.21 138.12 94.42 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.47 17.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 89.4 m 64.88 145.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -66.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m 60.9 87.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 112.68 25.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.79 -157.0 10.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 p -173.59 -58.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -143.73 156.5 44.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.11 -153.78 9.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.2 mtt -135.01 87.98 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.04 92.18 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 t -143.77 160.33 40.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.78 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -156.19 91.98 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.5 t -141.81 -60.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.337 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 m -109.67 166.97 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 p -162.96 145.93 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -131.99 -54.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.87 -107.63 2.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.62 169.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 57.68 172.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.04 -74.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.58 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.14 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.88 91.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.61 -172.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.74 -158.63 21.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.59 9.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.94 -65.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.97 -46.49 11.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -44.53 -63.82 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.81 -49.14 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.13 -58.16 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.14 -37.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.7 mmtt -69.14 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.7 mt -47.9 -24.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.4 mt-10 -62.34 -44.48 96.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -104.6 -3.29 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -99.33 -8.15 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -145.14 -47.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.92 59.19 2.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.027 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.18 -23.06 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.537 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -145.75 106.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.27 106.45 13.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.2 mm-40 -120.3 124.56 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 2.0 tt -125.58 142.86 51.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -146.74 159.55 43.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -89.61 115.26 26.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG2' ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -79.92 -58.1 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 11.8 p -38.95 125.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.78 53.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.597 ' C ' ' CD2' ' A' ' 58' ' ' HIS . . . 152.07 -121.7 1.23 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.65 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER 45.62 -168.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.634 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.95 48.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -118.06 155.2 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 135.97 14.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.83 52.14 3.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.96 143.21 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.44 62.25 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 p -104.62 -46.11 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -90.81 114.57 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.53 168.44 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -148.54 124.88 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 1.5 p -129.19 153.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.523 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.05 99.62 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.81 135.81 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 114' ' ' TRP . 99.6 t -126.74 91.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.09 165.45 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.34 -12.4 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -40.56 49.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.79 41.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.7 82.6 8.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -32.3 7.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.442 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 4.6 mmm -38.95 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.7 167.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -39.99 -40.13 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 60.2 mtt180 -52.7 -68.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.81 -47.79 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.625 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -46.49 -51.05 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -40.61 60.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' CG1' HD13 ' A' ' 106' ' ' ILE . 85.3 t -74.57 -52.63 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.505 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 11.0 m170 -51.88 -47.89 64.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -45.53 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.11 98.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -118.63 60.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.5 OUTLIER -68.44 -49.1 62.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -38.19 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.02 -61.21 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.505 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 1.8 mm? -61.15 -25.52 67.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.68 64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.94 -101.76 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.804 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 t -76.11 125.17 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -105.8 -44.0 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.75 97.49 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' HG ' ' CG1' ' A' ' 106' ' ' ILE . 0.6 OUTLIER -106.19 111.45 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.92 95.78 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 89' ' ' VAL . 13.0 mt -86.32 145.2 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.421 ' NE2' HD22 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -118.21 96.9 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.59 111.84 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -132.08 -178.88 5.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.91 164.47 19.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.0 -20.13 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -95.98 -42.63 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.537 ' CZ2' HG13 ' A' ' 48' ' ' VAL . 52.1 t-105 -53.14 -30.45 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -64.52 -52.54 57.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -52.37 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -140.98 83.8 13.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -75.03 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.43 130.01 38.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.523 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 49.6 mt -96.73 178.89 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.61 84.04 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 69' ' ' ARG . 5.9 mm -95.34 40.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 p 60.61 113.05 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.79 40.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.67 166.38 23.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -46.75 153.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 143.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.93 153.16 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.84 -116.66 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m 48.82 80.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.24 -58.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.17 -169.07 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.0 ttp -160.33 -53.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.13 97.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -48.28 126.33 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -125.05 97.0 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -153.2 165.19 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.22 71.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -51.17 174.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.08 137.57 53.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -78.52 -58.76 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.95 91.42 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.93 -66.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.32 152.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.5 -137.75 5.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.79 76.24 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.88 159.57 3.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -162.06 145.58 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.72 -173.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.72 -160.84 25.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -28.66 8.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.81 -58.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -50.31 -49.67 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -45.63 -49.79 13.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.73 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -50.06 -56.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -62.44 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.65 -37.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' ALA . 5.2 mmtt -67.43 -71.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.3 mt -47.15 -28.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -58.22 -43.72 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -104.72 -3.7 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.09 -4.0 28.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -151.62 -46.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.47 59.56 3.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.2 Cg_endo -75.03 179.01 6.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -89.3 -21.38 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 39.4 t -148.35 108.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD11 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -121.16 101.43 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.24 148.56 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.482 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 1.2 tt -146.37 149.36 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -149.83 140.01 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -88.8 105.21 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.15 -61.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 p 64.4 163.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 52.5 87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.85 -52.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.59 ' CD2' HG22 ' A' ' 60' ' ' VAL . 4.1 p80 -93.38 69.89 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.595 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' HIS . . . 39.09 61.13 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.59 HG22 ' CD2' ' A' ' 58' ' ' HIS . 1.3 m -131.1 156.76 79.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.82 42.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.92 68.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.1 40.81 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.76 142.39 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 110.017 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -107.17 48.38 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.7 p -95.08 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.22 119.46 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -130.86 178.71 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 105.29 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.482 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -111.07 147.44 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.479 ' CB ' HD23 ' A' ' 120' ' ' LEU . . . -126.24 100.33 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 9.0 p -95.54 142.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.521 HG22 ' CD2' ' A' ' 114' ' ' TRP . 89.4 t -134.89 93.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.7 167.33 22.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 p -85.97 -3.88 59.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.19 -39.36 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.2 m-85 -93.42 43.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.78 76.68 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.35 -30.79 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.444 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 3.4 mmm -43.51 150.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.52 167.39 1.78 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.48 11.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.75 -61.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -38.84 -41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 34.3 mtt180 -47.85 -64.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -51.29 -33.08 27.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' GLU . 10.3 ttt-85 -64.51 -43.16 94.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.15 -46.91 54.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 76.5 t -71.48 -50.57 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 25.0 m170 -53.54 -31.04 44.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.555 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -66.25 -42.64 88.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.47 -37.36 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 2.1 mm? -119.76 61.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER -73.55 -48.73 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.23 -15.53 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 96' ' ' GLU . 11.4 mp0 -77.3 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -64.76 -21.48 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.72 57.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.77 -99.87 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.05 125.75 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -104.9 -42.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.33 100.98 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 106' ' ' ILE . 0.3 OUTLIER -114.33 123.63 49.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.33 96.68 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.428 ' CG1' ' HG ' ' A' ' 104' ' ' LEU . 12.6 mt -87.93 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.91 96.32 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.87 114.94 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -133.81 -178.43 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -116.12 164.25 18.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.6 -30.57 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -86.2 -41.37 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.634 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 71.5 t-105 -49.21 -37.53 23.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -53.07 -55.07 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.92 -56.95 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -134.01 85.77 39.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.634 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 2.87 6.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.81 176.81 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 71' ' ' ALA . 11.4 mt -136.08 -179.62 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -131.26 78.46 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 44.0 mm -78.13 -66.62 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.5 138.9 20.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 167.91 25.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.01 22.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -65.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.37 76.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.8 p -137.88 110.7 7.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 142.29 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.78 61.73 0.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.22 160.16 39.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m 63.32 131.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.44 129.74 1.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.26 158.2 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.01 121.12 25.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -132.9 114.98 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 133.82 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.04 135.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -174.24 163.36 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -171.58 106.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.44 152.62 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.48 111.28 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.52 145.62 14.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -140.61 110.09 6.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 57.95 165.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.79 92.28 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -178.81 87.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.993 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -175.09 -179.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.43 90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.52 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.61 -170.47 15.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -23.23 13.93 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.416 ' CG1' ' OE1' ' A' ' 96' ' ' GLU . 72.6 t -74.04 -69.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -42.41 -55.63 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -40.03 -55.67 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.09 74.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -48.42 -67.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -55.09 -57.25 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.71 -40.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -67.66 -71.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 44' ' ' LEU . 4.0 mm? -44.02 -33.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -56.21 -42.81 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' LYS . 22.7 pt20 -104.17 -3.45 24.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.72 -9.39 20.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 40' ' ' LEU . 99.0 mt -144.35 -46.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.48 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.26 60.36 3.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' CG ' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.56 -22.53 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 25.4 t -147.08 109.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.481 ' CD1' ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.48 105.23 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.88 130.33 55.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.51 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 1.7 tt -131.08 144.39 51.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.85 149.84 26.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.64 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 mm-40 -81.0 -67.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 29.5 t 37.87 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.93 -51.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.86 94.85 0.8 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.575 ' CE1' HG22 ' A' ' 60' ' ' VAL . 0.3 OUTLIER 179.15 143.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.587 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.59 73.87 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 58' ' ' HIS . 27.5 m -131.84 156.82 79.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.35 31.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.39 141.0 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 59.27 4.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 147.52 49.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -122.2 47.04 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.4 p -86.1 -33.41 20.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.14 122.85 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.542 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 65' ' ' GLU . 2.2 m-85 -136.05 171.96 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.65 116.93 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.51 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -121.15 139.03 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.482 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -115.47 99.24 7.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 77' ' ' PHE . 10.0 p -93.38 140.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.511 HG23 ' CD2' ' A' ' 114' ' ' TRP . 99.3 t -133.38 87.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.58 165.74 24.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -84.38 -7.45 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -39.22 70.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.532 ' CE2' HG12 ' A' ' 72' ' ' VAL . 9.9 m-85 -88.1 38.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.39 106.7 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.26 44.29 84.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p -90.3 167.86 15.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 84' ' ' GLN . 14.4 mt -68.66 -67.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.5 mt-30 -36.61 -53.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.466 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 84.8 mtt180 -44.05 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -56.11 -46.65 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -49.05 64.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.7 t -70.03 -50.33 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.569 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 10.0 m170 -52.07 -38.93 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -45.99 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.1 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.439 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 3.6 mm? -118.85 62.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.5 t -68.19 -36.22 79.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.78 -37.39 87.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.439 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 31.1 mm-40 -55.38 -64.02 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -53.66 -22.39 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.72 67.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.81 -100.83 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 t -83.63 129.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.57 -40.91 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.569 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.57 101.43 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.21 113.76 24.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.84 103.68 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 90' ' ' HIS . 12.8 mt -92.48 142.22 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.02 103.13 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.16 107.06 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -133.92 155.63 49.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.6 p -90.7 163.88 28.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.49 8.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.92 -22.27 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -94.18 -40.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.511 ' CD2' HG23 ' A' ' 73' ' ' VAL . 43.5 t-105 -53.76 -34.2 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -62.41 -48.03 81.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -46.86 83.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -146.22 83.62 8.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.497 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.07 -9.62 20.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -72.18 118.96 15.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 18.7 mt -83.52 -176.12 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.21 68.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 pt -94.73 -41.62 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.7 p -151.59 148.93 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.3 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.6 t -135.89 85.59 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tp 62.84 129.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -173.99 149.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.32 116.5 32.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.43 89.02 0.1 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -56.71 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -76.98 136.07 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.94 166.63 37.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.35 163.4 34.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.83 138.82 37.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -127.31 101.39 6.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.85 61.47 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -59.68 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.49 161.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.262 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.13 136.41 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.06 -58.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -118.25 121.96 41.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.13 -123.4 5.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.95 119.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.56 -57.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.09 139.45 9.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 p -140.3 106.76 5.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.36 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.59 168.84 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.12 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.92 -170.37 12.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.45 14.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.83 -62.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 5.6 tt0 -52.62 -59.31 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.02 -43.16 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' C ' ' N ' ' A' ' 37' ' ' ARG . . . -63.36 -56.91 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' ALA . 44.5 mt -39.5 -32.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.81 -68.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.68 -30.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.3 mmtm -68.73 -69.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 44' ' ' LEU . 93.8 mt -49.17 -25.37 2.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -62.7 -42.02 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -104.6 -3.58 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -102.99 -9.7 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 40' ' ' LEU . 57.2 mt -145.67 -46.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.522 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.68 58.79 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.1 Cg_endo -75.05 -178.98 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.22 -20.7 23.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.482 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 19.8 t -149.97 107.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.79 89.76 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ALA . 6.7 mm-40 -100.32 127.6 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HG ' ' CG ' ' A' ' 33' ' ' GLU . 8.0 tp -140.5 136.3 32.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -145.23 175.7 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -105.83 142.12 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE2' ' CG2' ' A' ' 122' ' ' ILE . 4.6 mm-40 -114.58 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 94.5 p 38.77 83.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.09 -98.61 1.02 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . -170.29 34.48 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 60' ' ' VAL . 1.8 p80 -66.4 75.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 47.05 40.57 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 58' ' ' HIS . 3.7 m -120.51 154.19 56.66 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.15 28.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.77 135.44 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.64 55.81 5.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.81 144.19 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -119.58 78.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.451 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 33.8 p -124.71 -58.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.89 98.03 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.611 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.4 m-85 -115.13 163.47 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.9 121.35 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -121.5 151.99 24.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 120' ' ' LEU . . . -134.21 100.05 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 13.6 p -99.16 141.82 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.492 HG23 ' CD2' ' A' ' 114' ' ' TRP . 97.5 t -131.71 88.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.98 162.74 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 p -82.3 -9.22 59.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.9 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 6.6 m-85 -93.22 43.25 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.05 88.2 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.78 29.41 42.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.35 158.51 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 169.92 4.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.14 12.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.24 -56.73 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' LEU . 3.2 mt-30 -43.6 -47.8 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 36.1 mtt-85 -49.57 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 12.0 m170 -56.43 -32.38 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -66.3 -38.21 87.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' GLN . 0.5 OUTLIER -57.41 -54.2 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 106' ' ' ILE . 71.6 t -65.91 -40.8 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 45.0 m170 -61.43 -39.35 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -43.91 92.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.45 -41.6 63.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.53 63.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.5 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -77.89 -50.26 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.02 -22.03 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.93 -40.03 94.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 90' ' ' HIS . 0.9 OUTLIER -98.93 9.33 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.45 50.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.3 -73.48 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.408 ' CG1' HD22 ' A' ' 97' ' ' LEU . 3.2 t -65.96 140.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -114.15 -33.59 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.632 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -169.04 111.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -127.49 131.39 50.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.98 96.39 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.443 HD12 ' CD2' ' A' ' 90' ' ' HIS . 23.0 mt -81.33 126.44 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.36 96.73 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -96.93 109.53 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.48 177.46 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.64 165.09 15.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.1 8.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -21.3 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -97.48 -40.69 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.6 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 29.6 t-105 -55.24 -27.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -63.78 -54.71 30.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.75 -56.02 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -138.73 87.78 14.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.6 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -11.95 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -72.37 119.1 16.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD2' ' HB1' ' A' ' 71' ' ' ALA . 13.2 mt -78.52 -171.21 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -144.25 87.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.494 ' CG2' ' OE2' ' A' ' 54' ' ' GLU . 39.1 mt -101.88 -57.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 p -87.9 151.83 50.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.74 6.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.6 5.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -137.26 113.59 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -165.37 168.54 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.17 161.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -160.1 -58.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.85 -163.14 31.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.7 p -131.34 170.35 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.71 168.63 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.01 153.56 8.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.3 ttm -172.01 -55.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.67 88.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 t -112.45 161.63 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.01 -56.46 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 p 57.64 167.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -125.75 162.55 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.3 t -108.26 124.18 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -44.48 157.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -56.63 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.99 -109.76 0.6 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.5 t -168.98 76.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.2 111.24 21.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.85 -92.69 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -101.72 -1.95 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 26' ' ' SER . . . 166.07 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.1 168.57 19.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.89 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -148.63 -167.38 13.67 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -26.55 10.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.9 t -76.88 -63.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 3.7 tt0 -46.12 -57.2 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.09 -49.01 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -52.56 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 mt -41.99 -59.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.4 ttt180 -64.18 -62.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -36.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.2 mmtt -68.92 -71.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' CD2' HD13 ' A' ' 44' ' ' LEU . 50.0 mt -47.09 -25.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 39' ' ' LYS . 10.8 mt-10 -64.41 -40.96 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -104.75 -4.86 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.56 -3.09 29.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 40' ' ' LEU . 46.7 mt -151.04 -46.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.502 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 58.67 59.68 5.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.5 Cg_endo -74.93 -179.18 4.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -87.42 -21.17 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 21.4 t -149.79 106.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.63 99.04 6.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' OE2' ' NH1' ' A' ' 52' ' ' ARG . 4.7 mm-40 -107.31 139.6 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 30.4 tp -152.15 135.87 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' NH1' ' OE2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -155.88 158.98 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -96.03 132.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -111.49 -63.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 t 56.76 163.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.41 139.26 10.69 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . . . 116.23 -73.52 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -53.18 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.553 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.71 70.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG22 ' CD2' ' A' ' 58' ' ' HIS . 16.7 m -121.31 151.53 56.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.85 12.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.04 169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.07 49.53 13.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.1 p -108.18 127.28 53.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 42.31 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.582 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 2.7 p -82.43 -34.13 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CG ' ' CE1' ' A' ' 58' ' ' HIS . 9.5 m170 -93.44 126.27 38.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -139.09 179.02 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.27 111.19 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' CG2' HD11 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.84 146.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.09 99.29 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 11.0 p -96.07 139.91 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.489 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 98.8 t -133.34 88.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.37 166.6 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 p -83.23 -10.49 58.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -48.45 -43.94 34.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -92.11 46.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.51 81.1 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.79 28.14 36.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.48 171.94 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 166.22 41.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.931 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -26.99 10.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.48 -57.2 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -42.77 -42.32 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 47.4 mtt180 -54.22 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -54.62 -32.28 58.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.584 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -66.72 -41.7 87.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -53.71 33.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.98 -51.01 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.498 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 11.3 m170 -51.47 -36.8 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -63.58 -45.23 91.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.22 -43.77 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -118.17 61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 26.5 t -76.87 -27.82 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -14.47 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.19 -64.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.498 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.8 mm? -55.67 -20.93 15.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.42 66.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.22 -100.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 t -70.17 124.28 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -110.29 -16.87 13.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . . . -163.21 121.57 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tp -144.18 118.29 9.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.26 95.97 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.479 HD11 ' CD2' ' A' ' 90' ' ' HIS . 10.8 mt -80.01 137.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.49 96.18 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.37 109.25 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -131.75 -178.23 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 165.52 18.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.04 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.01 -17.6 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -99.79 -35.93 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.565 ' CZ2' HG13 ' A' ' 48' ' ' VAL . 51.8 t-105 -59.57 -29.44 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -65.51 -40.4 92.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.87 -50.72 72.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -144.43 85.96 8.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.05 0.55 8.79 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -81.01 119.99 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.497 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 27.5 mt -88.58 -175.74 5.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.93 74.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 49.9 mm -80.62 -61.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.71 123.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 77.47 3.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.563 1.823 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 26.5 p 179.52 122.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.33 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.1 -62.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 t 56.35 97.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.9 p -138.52 100.45 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.77 -87.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p 51.86 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.15 88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.7 143.99 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.59 168.14 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.22 -64.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p 46.2 -166.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.7 157.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.37 112.95 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.35 165.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t 62.94 139.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.73 171.21 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -57.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.91 -85.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t 61.06 110.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.51 -69.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.04 95.48 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.23 85.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.33 179.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.92 65.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.54 -168.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.82 -167.78 24.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.01 10.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.04 -63.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -46.91 -36.69 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.25 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -58.85 -42.73 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.7 mt -54.04 -48.21 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.36 -62.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.11 -36.05 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 35' ' ' ALA . 8.6 mmtm -69.64 -69.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD11 ' CG1' ' A' ' 89' ' ' VAL . 59.7 mt -48.75 -23.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 7.8 mt-10 -64.63 -42.81 95.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.69 -3.48 23.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -98.69 -10.38 23.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.6 mt -143.1 -47.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.518 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 13.2 p 63.71 58.27 1.88 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 -23.4 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 25.8 t -145.45 108.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.91 101.57 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 6.1 mm-40 -115.6 127.31 55.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 33' ' ' GLU . 1.6 tt -125.99 142.33 51.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.7 155.99 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 46.1 t-20 -95.4 143.26 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 2.5 mm-40 -112.26 -55.3 2.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 p 47.09 83.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.16 -128.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . . . -123.83 9.34 8.58 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.588 ' CD2' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -47.42 173.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 90.16 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.588 HG23 ' CD2' ' A' ' 58' ' ' HIS . 3.6 m -139.07 155.08 72.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.51 26.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.93 133.33 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.06 52.26 4.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.7 142.73 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -124.31 59.41 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 p -102.69 -60.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.454 ' CG ' ' CE1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -67.88 100.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.631 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' HB2' ' CD1' ' A' ' 104' ' ' LEU . 2.0 m-85 -119.27 177.46 4.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.25 109.44 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.72 151.2 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.543 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.16 99.62 5.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.49 HG13 ' CE2' ' A' ' 77' ' ' PHE . 8.1 p -94.94 138.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.6 t -132.7 89.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.04 166.62 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.45 -3.22 58.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -38.83 85.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CE2' HG13 ' A' ' 72' ' ' VAL . 6.8 m-85 -87.59 38.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -85.26 89.08 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.16 -38.32 3.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.498 ' CE ' ' CD1' ' A' ' 88' ' ' LEU . 5.8 mmm -37.4 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.81 158.86 21.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.29 11.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.29 -49.33 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -53.71 -38.83 64.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 44.8 mtt180 -48.69 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -53.02 -41.43 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD1' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -60.91 -39.34 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.456 ' CG1' HD11 ' A' ' 40' ' ' LEU . 6.3 t -76.86 -39.43 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.474 ' CD2' HD13 ' A' ' 106' ' ' ILE . 11.1 m170 -64.18 -42.94 96.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.28 -48.27 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.29 -48.5 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.63 60.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' HIS . 37.3 t -74.99 -17.94 60.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.88 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.96 -58.03 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 HD12 ' CG1' ' A' ' 101' ' ' VAL . 2.3 mm? -57.96 -29.52 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.43 66.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.15 -102.17 0.17 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -74.95 -46.45 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.459 ' CG1' HD12 ' A' ' 97' ' ' LEU . 71.1 t -86.6 130.56 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -111.84 -50.03 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 67' ' ' HIS . . . -128.94 107.43 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -118.88 121.03 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 69' ' ' ARG . . . -85.43 95.44 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.474 HD13 ' CD2' ' A' ' 90' ' ' HIS . 10.8 mt -87.2 145.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.38 96.5 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.74 109.25 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -134.1 163.18 30.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -98.79 164.61 16.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.39 8.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.25 -20.41 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -95.83 -41.38 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.546 ' CD1' ' HB3' ' A' ' 118' ' ' PRO . 53.9 t-105 -54.11 -34.4 60.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -60.36 -50.38 73.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -57.46 12.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -135.03 82.64 42.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.546 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.95 -7.8 19.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.93 121.59 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.543 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.4 mt -86.3 -175.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.21 84.6 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.8 -69.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 94.9 p -144.54 143.12 20.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.08 43.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 57.88 81.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 108.283 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.3 mt -122.4 -67.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.1 m -163.19 170.27 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -148.95 166.23 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.63 -175.73 22.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.74 164.55 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.7 p -175.1 169.34 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.4 140.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -130.77 -54.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.68 96.96 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -106.19 127.83 53.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.43 -60.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m 45.06 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 111.39 24.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 108.34 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.4 p -170.52 156.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -133.19 127.84 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.96 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -108.58 172.85 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -126.05 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.12 138.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.12 169.66 17.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 155.83 31.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -159.91 118.83 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.6 -59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.01 171.41 8.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.97 -169.5 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.07 15.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t -80.65 -63.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 22.4 tt0 -46.82 -53.95 10.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.6 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.58 79.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.3 mt -49.42 -40.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -62.59 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.4 -36.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mmtt -69.03 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 HD21 ' CD2' ' A' ' 93' ' ' LEU . 96.8 mt -49.08 -23.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' LYS . 8.9 mt-10 -65.27 -41.37 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.14 -3.59 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -102.26 -0.14 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -151.56 -46.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.522 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.83 57.99 2.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.4 Cg_endo -74.98 173.06 15.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.807 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.12 -18.7 26.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 25.2 t -150.09 104.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.76 92.25 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -97.86 133.65 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 19.2 tp -144.45 138.74 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.28 153.79 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.09 121.64 34.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.56 -64.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p 39.81 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.77 132.25 1.36 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 131.73 -75.16 0.43 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.557 ' CD2' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -53.64 -173.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.636 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG22 ' CD2' ' A' ' 58' ' ' HIS . 17.3 m -129.12 152.43 79.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.16 33.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.14 163.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 39.84 56.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 p -121.23 132.52 54.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -135.14 39.3 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.589 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 6.9 p -76.66 -51.7 11.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.13 118.04 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.509 ' CE2' ' O ' ' A' ' 65' ' ' GLU . 3.8 m-85 -133.13 175.06 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -151.25 116.74 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 p -121.0 131.25 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -112.02 99.42 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG11 ' CE2' ' A' ' 77' ' ' PHE . 9.8 p -93.26 141.29 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 114' ' ' TRP . 99.3 t -133.61 96.34 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -147.61 167.45 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -80.12 -16.21 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.62 -36.75 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CE2' HG11 ' A' ' 72' ' ' VAL . 9.6 m-85 -97.59 43.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -85.28 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.72 20.09 75.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.466 ' HE2' ' CD1' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -83.0 161.16 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.39 164.98 9.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.45 2.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.66 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -43.39 -44.63 5.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -47.95 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -58.23 -33.42 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.25 -55.5 33.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.466 ' CD1' ' HE2' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.99 -38.86 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.2 t -79.21 -57.16 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.536 ' CD2' HD11 ' A' ' 97' ' ' LEU . 41.0 m170 -48.53 -28.27 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -46.14 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.91 71.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.413 ' CD2' HD21 ' A' ' 40' ' ' LEU . 2.4 mm? -117.26 61.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -80.9 -23.59 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.25 -14.2 47.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -79.43 -35.22 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 90' ' ' HIS . 0.7 OUTLIER -101.85 5.78 41.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.4 36.77 4.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.472 ' CG1' HD22 ' A' ' 97' ' ' LEU . 8.1 t -57.15 130.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.589 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -112.7 -15.39 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.23 99.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.419 ' CB ' HG12 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -115.47 124.32 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 69' ' ' ARG . . . -84.25 100.3 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.8 mt -89.42 143.73 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.72 97.26 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.49 111.98 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.06 -177.07 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -119.08 164.0 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.85 -14.8 14.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.92 -35.87 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.611 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 52.8 t-105 -60.07 -29.01 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -61.91 -50.34 72.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.19 -52.6 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -135.91 85.42 29.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.611 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.782 . . . . 0.0 111.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.25 172.57 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 26.5 mt -139.95 162.72 34.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.73 82.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 54.6 mt -89.26 -75.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.37 159.93 30.82 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.92 6.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.35 4.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -149.72 139.02 21.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.65 133.14 54.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.55 161.1 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.7 p -173.88 121.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.59 -141.27 4.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -156.19 166.88 32.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.026 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 p -131.99 135.76 46.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.73 -155.23 21.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 56.53 4.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.38 -61.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.9 m -79.09 103.8 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -101.88 104.19 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -42.42 120.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.85 157.41 40.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.72 144.63 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -160.99 104.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -40.23 134.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.18 -138.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.39 140.65 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 0.788 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.69 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.56 97.86 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -108.25 -58.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -150.89 167.09 28.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.83 109.91 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.41 -170.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.11 -154.22 24.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.155 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -28.44 9.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.55 -71.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -40.03 -49.08 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.84 -61.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.48 74.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -49.06 -57.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -62.65 -62.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.4 mmtm -69.26 -70.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -48.05 -24.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.6 mt-10 -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -105.05 -2.92 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -96.49 -29.1 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.8 mt -125.37 -43.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.52 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.36 58.34 3.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.5 Cg_endo -75.0 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.14 -22.63 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.521 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 29.7 t -143.72 107.11 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.13 101.99 8.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.0 mm-40 -119.48 125.18 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HG ' ' CG2' ' A' ' 70' ' ' VAL . 1.7 tt -123.39 143.11 50.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.58 154.37 34.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.58 97.01 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t 44.04 55.49 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.53 -118.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.6 55.44 2.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 140.49 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.552 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.24 53.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.4 m -118.93 153.31 52.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 141.41 26.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.42 123.27 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.88 -30.82 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.9 m -68.67 125.93 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . 1.8 mt-10 -115.37 50.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.5 p -87.68 -59.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 104.3 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.552 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -120.38 163.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.76 101.01 3.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.493 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 1.3 p -104.77 149.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' CB ' HD22 ' A' ' 120' ' ' LEU . . . -126.19 99.6 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.475 HG13 ' CE2' ' A' ' 77' ' ' PHE . 9.4 p -97.47 140.83 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 114' ' ' TRP . 95.9 t -135.15 94.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.26 158.7 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -79.18 3.15 18.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -41.02 92.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 4.6 m-85 -90.45 42.24 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.56 87.5 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.81 -36.1 4.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.463 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.2 mmm -41.73 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.81 161.16 73.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.06 11.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.13 -54.35 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -48.85 -34.7 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mtt180 -53.75 -69.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -48.37 -44.67 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -49.69 -51.05 41.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.463 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.82 -45.96 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG1' HD11 ' A' ' 106' ' ' ILE . 42.4 t -70.98 -55.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 94' ' ' SER . 12.7 m170 -48.19 -44.28 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.37 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.16 83.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -116.4 62.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 39.3 t -67.91 -45.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.49 -39.45 76.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.34 -55.93 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.448 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.3 mm? -68.85 -30.93 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 74.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.84 -94.31 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.2 t -77.25 127.02 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -101.74 -50.78 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.44 104.4 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.461 ' HG ' ' CG1' ' A' ' 106' ' ' ILE . 0.5 OUTLIER -115.42 112.4 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.37 98.41 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.461 ' CG1' ' HG ' ' A' ' 104' ' ' LEU . 14.9 mt -91.05 145.47 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -118.05 97.57 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.09 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -133.3 169.09 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 111' ' ' PRO . 9.1 p -109.57 167.7 8.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 110' ' ' THR . 18.3 Cg_endo -75.02 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.75 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -85.49 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.522 ' CD2' HG22 ' A' ' 73' ' ' VAL . 72.6 t-105 -50.38 -39.05 45.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -54.61 -45.52 73.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -58.23 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.75 83.82 18.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.44 132.15 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 71' ' ' ALA . 6.9 mt -93.43 -163.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.8 72.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 38.3 mm -93.39 -58.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.9 p -143.54 142.55 21.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 153.07 41.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.42 2.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 56.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 137.1 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.5 p -175.64 132.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.037 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.59 170.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.28 143.12 4.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -176.1 162.1 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -158.44 146.76 18.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -138.15 14.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 65.51 109.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 0.727 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.58 147.7 26.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -136.61 130.58 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.75 142.95 47.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -91.37 163.8 14.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.67 152.63 20.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.52 156.67 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.0 155.7 16.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -146.6 87.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.8 170.4 14.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.33 -59.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.1 169.36 18.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.13 96.72 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -60.35 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 0.819 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.42 154.61 36.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.14 140.46 49.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.5 178.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -158.14 9.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -26.95 10.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.2 t -75.28 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' ALA . 10.6 tt0 -48.87 -59.63 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLU . . . -39.72 -53.76 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.73 -55.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' CG1' ' OE2' ' A' ' 96' ' ' GLU . 37.1 mt -41.0 -50.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' GLU . 6.9 ttt180 -72.56 -64.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.04 -33.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.0 mmtt -70.13 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' HG11 ' A' ' 89' ' ' VAL . 46.3 mt -51.29 -22.47 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.2 mt-10 -64.23 -43.77 93.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -104.64 -3.82 23.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -99.71 -4.53 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -150.31 -46.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.504 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.76 59.75 4.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.02 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.38 -21.57 21.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG13 ' CZ2' ' A' ' 114' ' ' TRP . 21.9 t -149.35 103.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.43 86.36 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -92.96 140.16 29.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.404 ' CD2' ' CG ' ' A' ' 33' ' ' GLU . 7.8 tp -151.72 136.06 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -154.4 173.06 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.33 133.16 47.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -97.33 -61.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.6 p 38.94 87.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.6 -135.09 0.77 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.82 22.98 12.17 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.574 ' CD2' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -51.32 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.44 61.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 58' ' ' HIS . 33.3 m -118.26 152.56 50.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.25 22.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.33 146.25 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.37 47.6 8.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.67 144.45 47.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.22 62.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.577 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 4.9 p -101.66 -52.02 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -77.2 125.42 29.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -141.78 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 112.47 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -115.53 148.44 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -131.92 99.76 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.477 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 7.6 p -94.98 139.71 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 114' ' ' TRP . 95.4 t -133.13 92.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.15 165.02 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.7 p -85.37 -1.11 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -42.29 93.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 14.4 m-85 -88.39 39.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.79 106.4 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.28 45.62 92.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -172.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -92.26 166.94 16.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.07 4.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' GLN . 4.1 mm? -70.42 -67.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.0 mt-30 -35.75 -49.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 89.6 mtt180 -46.97 -67.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -56.5 -36.12 68.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -60.02 -42.73 94.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.91 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.466 HG11 ' CD2' ' A' ' 40' ' ' LEU . 96.6 t -59.55 -55.66 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.545 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 23.0 m170 -50.85 -46.83 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.83 -37.94 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.11 -38.01 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 40' ' ' LEU . 2.4 mm? -113.93 58.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.6 t -75.79 -12.23 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.81 -32.46 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' OE2' ' CG1' ' A' ' 36' ' ' ILE . 6.2 mm-40 -62.38 -63.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.545 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.3 mm? -55.86 -25.93 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.62 64.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.99 -102.5 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.2 t -75.46 117.41 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.577 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -111.73 -15.95 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -163.32 101.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.28 118.45 24.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.06 102.19 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.405 HG23 ' CG1' ' A' ' 70' ' ' VAL . 8.8 mt -86.87 137.36 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.412 ' NE2' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -110.54 96.09 5.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.54 110.21 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -132.68 -179.96 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.5 166.0 13.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.07 8.15 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.51 -30.82 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -87.73 -41.09 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.595 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 28.5 t-105 -51.43 -24.62 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -64.39 -50.28 68.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.59 -38.92 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.74 94.98 1.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.595 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.98 -1.61 11.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -91.52 121.32 33.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.451 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 9.7 mt -85.66 149.12 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.47 90.36 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.4 mt -106.79 -56.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 97.2 p -147.57 136.03 11.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.49 13.3 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.749 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 86.21 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.93 71.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 108.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tp -97.57 125.39 42.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.9 p 177.84 117.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.769 . . . . 0.0 110.037 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.7 m -165.17 170.24 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.78 175.38 32.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -179.22 169.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.27 172.17 13.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.49 150.76 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.46 136.7 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.98 101.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -120.73 139.73 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 133.83 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 p -177.79 118.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.05 174.13 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.2 t 55.22 96.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 p -133.08 134.14 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 122.69 33.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.72 123.49 7.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -172.59 128.88 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.66 155.8 19.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.01 -126.21 3.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 m -47.36 161.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.0 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.9 103.19 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.73 -171.78 16.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -21.32 16.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.9 t -76.3 -63.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 5.8 tt0 -48.84 -60.48 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.28 -49.19 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -58.36 -55.1 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.4 mt -39.57 -42.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.93 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.81 -35.29 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -69.03 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.44 HD11 ' CG1' ' A' ' 89' ' ' VAL . 34.7 mt -49.71 -23.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.03 -41.21 97.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -105.17 -3.22 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.15 -5.47 27.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD12 ' CD2' ' A' ' 40' ' ' LEU . 21.6 mt -148.66 -46.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 9.8 p 61.21 57.78 3.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.1 Cg_endo -75.03 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.45 -17.52 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 12.0 t -149.61 107.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.37 87.68 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -96.41 143.64 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 43.7 tp -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -158.43 163.93 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -95.26 122.79 38.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 122' ' ' ILE . 41.4 mm-40 -107.05 -50.92 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 1.2 t 83.01 -64.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.31 -93.23 0.7 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.9 103.45 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.578 ' CD2' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -162.81 -172.14 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.619 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.64 55.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG23 ' CD2' ' A' ' 58' ' ' HIS . 35.1 m -110.15 155.77 41.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.77 40.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.09 127.24 16.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.5 56.64 23.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.456 ' O ' ' CG2' ' A' ' 66' ' ' THR . 7.1 t -81.68 5.6 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 38.67 72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.456 ' CG2' ' O ' ' A' ' 64' ' ' SER . 71.6 p -137.61 -69.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 2.1 m170 -85.36 96.33 9.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -111.45 175.42 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -154.33 109.61 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.16 137.82 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.555 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -118.23 98.89 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -93.03 135.25 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.525 HG22 ' CD2' ' A' ' 114' ' ' TRP . 82.0 t -130.11 85.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.08 166.91 20.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.3 p -89.7 -3.39 58.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -28.64 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 15.1 m-85 -97.5 39.67 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.72 94.5 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.31 -40.33 2.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 88' ' ' LEU . 2.4 mmm -37.96 149.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 0.774 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 82' ' ' PRO . 0.5 OUTLIER -59.24 173.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 81' ' ' SER . 18.3 Cg_endo -75.03 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -58.87 3.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -38.7 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 57.9 mtt180 -58.12 -68.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -49.63 -40.61 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.04 -54.73 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' CD1' ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -47.79 -33.16 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.46 ' CG1' HD12 ' A' ' 106' ' ' ILE . 41.4 t -82.86 -54.84 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.572 ' CD2' HD11 ' A' ' 97' ' ' LEU . 48.5 m170 -50.64 -41.55 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -45.81 92.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.9 80.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -116.91 61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -80.04 -40.85 26.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.952 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -14.58 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -80.48 -35.13 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -103.98 7.28 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.58 40.13 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.79 -76.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.1 Cg_endo -75.05 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.17 145.48 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 3.2 m-70 -114.23 -55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . . . -129.44 102.91 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 2.1 tp -115.17 113.62 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.2 98.57 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.46 HD12 ' CG1' ' A' ' 89' ' ' VAL . 9.1 mt -84.43 145.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.423 ' N ' HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -119.65 96.41 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -92.8 109.9 21.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -135.85 171.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.4 164.63 14.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.556 1.819 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.04 -15.88 14.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -100.89 -36.92 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.552 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 59.6 t-105 -57.5 -31.34 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -63.91 -49.64 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.82 -51.59 66.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -144.87 87.03 7.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.552 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.5 Cg_endo -74.97 -19.91 17.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.92 114.17 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.555 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 9.3 mt -76.28 176.52 8.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.22 77.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.506 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 80.2 mt -96.1 -87.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 91.7 p -133.32 146.56 61.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 144.74 30.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.3 t -171.02 83.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.8 tp -40.72 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.07 133.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -91.07 144.67 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.68 165.53 29.63 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.8 p -97.37 109.06 21.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.79 174.77 10.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.8 71.36 1.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 110.19 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.46 156.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.0 p -67.59 159.69 29.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -99.61 152.77 19.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.1 p -44.82 140.63 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.5 t -131.37 162.73 29.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 108.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.84 136.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.48 117.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.057 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -65.05 154.44 37.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.9 136.01 2.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.9 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.13 114.4 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.04 101.61 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 m -118.81 124.92 48.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 174.86 5.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.18 151.61 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.73 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.83 -168.95 15.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.64 14.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -79.1 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 4.9 tt0 -49.95 -54.81 17.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.39 -47.13 26.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -41.89 -40.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -82.44 -60.95 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.98 -33.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.9 mmtt -69.76 -71.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD1' HG11 ' A' ' 89' ' ' VAL . 28.9 mt -50.1 -23.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.57 -42.23 95.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -104.75 -3.86 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.05 -4.18 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.431 HD11 ' CD2' ' A' ' 40' ' ' LEU . 29.5 mt -150.29 -46.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.513 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.73 59.25 4.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -75.07 -178.12 3.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 5.2 mm-40 -88.37 -20.33 25.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.477 ' HB ' ' CG2' ' A' ' 73' ' ' VAL . 16.0 t -151.72 102.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.78 82.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -88.12 144.38 26.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 9.7 tp -152.17 135.4 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -154.58 172.68 17.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.073 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -105.81 149.01 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 122' ' ' ILE . 29.6 mm-40 -117.95 -58.56 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.0 p 40.7 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.37 -115.39 3.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.58 113.06 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.589 ' CD2' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER 177.59 145.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 0.0 109.53 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.99 79.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG21 ' CD2' ' A' ' 58' ' ' HIS . 15.3 m -141.4 161.21 53.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.432 ' HD2' ' HB ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 -166.71 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 121.33 14.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 64' ' ' SER . . . 74.78 -54.05 2.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.468 ' CB ' ' HB ' ' A' ' 60' ' ' VAL . 7.8 t 52.3 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -140.22 50.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 p -118.73 -9.06 10.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.79 126.9 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 30.8 m-85 -146.89 170.16 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.49 111.76 7.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.29 144.7 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.64 99.86 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 12.4 p -94.0 139.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 114' ' ' TRP . 76.1 t -132.38 86.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.9 165.39 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -84.11 -5.87 59.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.39 -41.88 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -94.46 46.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.83 62.4 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.94 -14.65 12.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 76' ' ' ARG . 16.4 mtp -46.91 173.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.71 162.09 69.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.0 13.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.18 -48.74 8.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' ARG . 64.2 mt-30 -51.35 -50.5 59.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.8 mtt180 -39.18 -63.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.65 -35.23 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLN . 19.8 ttt180 -62.65 -47.6 83.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.49 -52.07 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 40' ' ' LEU . 75.8 t -64.82 -58.18 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 22.1 m170 -45.09 -57.79 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -42.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.63 -41.89 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' HIS . 3.2 mm? -115.88 63.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.6 t -77.31 -40.42 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.81 -30.67 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 7.7 mm-40 -61.77 -58.96 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD12 ' CG1' ' A' ' 101' ' ' VAL . 1.5 mm? -60.26 -27.62 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.58 62.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.36 -102.4 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.417 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -75.0 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.432 ' CG1' ' HB3' ' A' ' 104' ' ' LEU . 21.4 t -79.96 113.28 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 12.6 m170 -97.22 -35.69 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.31 109.95 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -126.9 124.81 40.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' N ' HD13 ' A' ' 104' ' ' LEU . . . -79.44 101.12 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 90' ' ' HIS . 33.2 mt -85.81 141.76 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -118.24 98.93 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -98.07 117.08 31.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.62 -174.3 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 p -121.58 163.46 30.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.63 -20.68 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -98.87 -36.3 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.55 ' CH2' ' O ' ' A' ' 118' ' ' PRO . 27.3 t-105 -58.45 -27.53 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.85 -58.18 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -134.49 82.11 46.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.55 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -86.2 121.18 28.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 39.9 mt -89.73 152.72 21.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.48 74.31 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.405 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 18.9 pt -99.93 -40.25 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -160.51 146.45 11.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.57 33.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.41 2.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.7 133.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 -60.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -178.98 169.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 m -132.15 167.06 20.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.27 -172.32 17.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -156.97 165.61 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.779 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -144.25 159.41 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.07 143.21 7.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.26 161.03 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.27 135.38 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.48 123.32 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -173.81 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 p -69.51 128.36 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.25 141.16 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -143.69 130.87 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m 64.44 161.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -35.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.02 148.64 18.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.1 m 65.63 150.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.32 140.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.09 -104.65 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.47 -57.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.46 174.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 41.98 67.53 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.99 -177.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.65 -166.95 15.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -17.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.4 t -78.31 -68.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -45.28 -56.5 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.11 -50.21 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.35 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -43.83 -39.07 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 15.0 ttp-105 -81.29 -65.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.14 -32.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.5 mmtt -69.47 -71.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 44' ' ' LEU . 61.3 mt -50.04 -23.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.15 -45.79 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -105.29 -3.04 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.59 0.29 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 40' ' ' LEU . 82.7 mt -152.65 -46.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.531 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 64.12 57.58 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' A' ' 45' ' ' SER . 18.3 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.03 -23.11 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.564 HG12 ' CZ2' ' A' ' 114' ' ' TRP . 45.4 t -147.25 107.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -114.68 94.56 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -100.3 131.04 46.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.2 tp -144.97 134.96 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 51' ' ' LEU . 34.1 mmm-85 -148.06 176.54 10.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -105.69 139.7 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -121.34 -55.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 t -40.79 149.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.61 67.22 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.75 64.54 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.554 ' CD2' HG21 ' A' ' 60' ' ' VAL . 3.4 p80 -171.97 70.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 46.99 50.29 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 58' ' ' HIS . 6.2 m -131.53 156.48 80.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 166.42 29.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 147.5 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.24 62.0 5.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.103 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -97.43 155.69 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -156.42 48.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.8 p -100.65 -9.84 21.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.73 115.27 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.58 171.24 13.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.53 108.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.71 144.9 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.498 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.34 99.96 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.49 ' CG2' ' HG3' ' A' ' 46' ' ' PRO . 11.4 p -96.74 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.505 HG22 ' CD2' ' A' ' 114' ' ' TRP . 89.7 t -138.18 92.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -142.43 164.54 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -80.23 -19.02 47.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -42.11 -38.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' CE2' HG12 ' A' ' 72' ' ' VAL . 12.6 m-85 -94.17 44.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 97.28 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.38 24.22 72.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.437 ' HE2' ' CD1' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -86.13 157.9 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 0.81 . . . . 0.0 111.031 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.71 160.74 7.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.9 -42.54 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.74 -41.46 77.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -51.11 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.09 -30.05 61.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -57.96 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.437 ' CD1' ' HE2' ' A' ' 80' ' ' MET . 0.0 OUTLIER -44.04 -34.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.422 ' CG1' HD13 ' A' ' 40' ' ' LEU . 59.0 t -83.21 -57.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.559 ' CD2' HD13 ' A' ' 97' ' ' LEU . 48.4 m170 -47.53 -36.57 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -44.53 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.83 -42.49 70.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.75 63.83 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.6 OUTLIER -81.76 -32.6 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.29 -23.02 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.21 -39.79 71.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -99.67 7.18 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -122.72 43.32 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.6 -78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.4 Cg_endo -74.94 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.1 t -63.91 140.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 29.6 m170 -111.55 -54.03 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.55 103.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 1.1 tp -116.36 120.35 38.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.34 99.5 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.9 mt -86.33 140.79 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.92 96.29 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.83 114.59 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.11 -179.07 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 p -118.65 164.29 21.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.73 -14.16 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -103.16 -34.98 8.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 48' ' ' VAL . 59.1 t-105 -60.67 -35.99 77.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 107.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 15.6 mtp-105 -60.74 -42.14 96.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.42 -51.17 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.09 81.89 15.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -3.16 13.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.426 1.75 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -80.79 120.95 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 25.7 mt -85.91 164.94 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.99 52.96 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.7 pt -98.84 -47.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.0 p -169.94 141.93 1.87 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 132.02 14.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 71.31 5.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 42.74 -158.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.87 -58.17 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 28.1 tt0 -50.87 -58.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.66 -53.1 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -55.38 26.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.434 HD11 HG21 ' A' ' 101' ' ' VAL . 46.6 mt -42.05 -36.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.34 -35.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -69.02 -71.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 89' ' ' VAL . 53.3 mt -48.34 -24.27 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 39' ' ' LYS . 6.0 mt-10 -62.81 -43.65 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -104.1 -3.5 24.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.6 -3.64 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -150.69 -46.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.508 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 15.0 p 60.15 59.45 4.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.728 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.01 -179.3 4.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.4 -20.83 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.576 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 15.0 t -150.7 107.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.702 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.84 96.77 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 16.7 mm-40 -104.71 140.48 37.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.704 ' HB2' HG23 ' A' ' 70' ' ' VAL . 29.2 tp -150.19 140.38 22.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.03 125.28 42.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' LEU . 1.9 m-85 -140.66 161.69 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.755 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.28 123.1 21.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -123.14 147.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.55 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -125.06 99.49 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.728 HG23 ' HG3' ' A' ' 46' ' ' PRO . 7.5 p -96.54 137.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 85.7 t -130.03 87.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -133.51 163.62 28.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 p -81.36 -15.72 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -46.12 -42.27 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.5 42.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.38 94.93 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.6 41.75 93.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.16 179.43 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.32 159.12 75.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.81 11.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.19 -49.06 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -50.55 -48.04 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 85.9 mtt180 -45.91 -64.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.04 -45.12 67.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -50.3 -50.38 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.59 -57.1 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 40' ' ' LEU . 48.8 t -62.63 -58.14 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.475 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 13.9 m170 -43.69 -42.03 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.64 76.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.87 89.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 2.3 mm? -112.21 59.61 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.16 -34.97 68.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.29 -30.26 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 8.3 mm-40 -63.87 -53.07 56.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.475 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.5 mm? -70.14 -16.94 63.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.39 62.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.86 -96.44 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 104' ' ' LEU . 6.5 t -74.93 127.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -166.14 111.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.705 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -130.44 128.94 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.755 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.6 99.57 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.705 HG12 HD11 ' A' ' 104' ' ' LEU . 37.8 mt -87.44 126.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -96.84 103.34 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . . . -100.41 105.72 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -127.03 -176.93 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 164.13 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.86 8.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.78 -35.38 7.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -82.7 -42.03 18.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.576 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 63.0 t-105 -50.56 -46.37 57.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -52.05 -37.34 53.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -54.88 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -133.85 77.49 62.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.528 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.94 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -84.04 117.98 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.55 HD21 ' HB1' ' A' ' 71' ' ' ALA . 9.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 4.0 tt0 -48.68 -52.28 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.39 -45.25 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.01 75.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 101' ' ' VAL . 24.4 mt -45.63 -35.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.08 -34.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.7 mmtt -69.13 -71.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.728 HD11 HG13 ' A' ' 89' ' ' VAL . 92.2 mt -47.97 -25.82 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.09 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -104.54 -3.59 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.14 -5.4 25.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 40' ' ' LEU . 46.8 mt -150.21 -46.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.82 59.67 4.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.747 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 179.48 6.06 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.75 -20.51 27.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.5 t -150.51 105.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.585 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -117.42 87.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 2.7 mm-40 -94.21 139.29 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.674 ' HB2' HG23 ' A' ' 70' ' ' VAL . 31.1 tp -152.34 134.42 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 101' ' ' VAL . 21.6 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.47 139.2 40.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 5.5 m-85 -152.53 163.14 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -137.61 118.98 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -119.39 148.07 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.556 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -128.54 99.64 5.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.747 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.9 p -96.42 140.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.1 t -133.81 86.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -133.54 163.67 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -83.11 -5.96 59.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -39.52 69.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 12.0 m-85 -89.02 38.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 92.9 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.3 34.24 89.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.25 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -69.88 155.33 93.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.57 -46.16 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.85 -51.53 65.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 76.9 mtt180 -40.31 -62.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.93 -42.27 84.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.641 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -46.75 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -45.12 69.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 40' ' ' LEU . 75.3 t -71.59 -50.68 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' SER . 2.5 m-70 -52.82 -45.25 67.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -45.45 72.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' HD13 ' A' ' 93' ' ' LEU . . . -73.03 -41.78 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.688 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.1 mm? -112.43 61.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -83.11 -32.56 26.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.64 -11.48 59.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' VAL . 40.6 mm-40 -82.3 -37.45 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.635 HD21 HD23 ' A' ' 104' ' ' LEU . 1.2 mt -99.54 4.22 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.15 39.87 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.81 -75.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 36' ' ' ILE . 4.6 t -60.0 137.13 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -112.04 -26.15 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -174.07 115.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -130.6 135.14 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.552 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -80.2 100.92 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.635 HD13 HG11 ' A' ' 89' ' ' VAL . 20.7 mt -85.14 137.6 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.525 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -108.44 96.52 6.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.18 101.45 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.69 173.07 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.71 165.27 13.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.57 8.72 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.62 -29.43 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -88.13 -44.92 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.598 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 60.5 t-105 -48.65 -35.85 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -58.89 -49.33 78.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -56.39 21.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.44 85.7 17.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.598 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -15.33 20.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.69 119.37 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.556 HD11 ' CB ' ' A' ' 71' ' ' ALA . 17.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 7.7 tt0 -49.22 -58.01 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.0 -51.15 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.18 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.6 mt -40.34 -45.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NE ' ' CD ' ' A' ' 41' ' ' GLU . 3.7 ttp180 -74.11 -63.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.3 -36.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.6 mmtt -68.68 -71.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 89' ' ' VAL . 82.9 mt -48.05 -25.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' NE ' ' A' ' 37' ' ' ARG . 19.6 mt-10 -62.97 -42.03 99.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -104.81 -3.72 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.88 -7.35 27.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.2 mt -147.34 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.515 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.6 59.11 3.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.717 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.03 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.16 -20.36 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.689 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.2 t -150.6 104.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.548 HD12 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -115.28 87.61 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 7.6 mm-40 -92.91 140.86 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 52' ' ' ARG . 3.8 tp -149.29 131.9 15.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.719 ' N ' HD12 ' A' ' 51' ' ' LEU . 25.1 mmm-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.47 112.07 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.65 ' HB3' HD13 ' A' ' 104' ' ' LEU . 6.4 m-85 -126.62 175.19 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.597 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -152.46 114.23 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.658 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -118.09 141.93 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -123.26 99.87 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.717 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.3 p -94.41 143.41 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 87.7 t -134.74 86.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -132.22 163.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -84.62 -8.0 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 5.0 mmp_? -54.79 -37.8 66.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.9 39.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.09 80.15 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.72 30.94 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.505 ' HE1' HD11 ' A' ' 88' ' ' LEU . 7.6 mtp -91.66 162.3 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 m -66.19 159.47 71.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -24.45 12.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.71 -44.28 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.21 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -44.39 -62.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -60.95 -35.2 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.591 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.85 -45.01 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.505 HD11 ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -50.14 -52.62 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.604 HG13 HD11 ' A' ' 40' ' ' LEU . 22.4 t -65.0 -56.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 57.5 m170 -46.86 -42.77 17.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.29 -39.35 75.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.545 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -77.25 -41.53 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.3 mm? -118.68 64.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.6 OUTLIER -83.09 -32.05 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -14.39 59.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 93' ' ' LEU . 5.8 mm-40 -77.63 -30.57 52.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -105.36 7.96 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.1 62.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.03 -70.34 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.494 ' O ' ' CE1' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.5 t -81.91 151.46 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 100' ' ' PRO . 0.6 OUTLIER -126.97 -51.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.38 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.3 tp -117.19 112.65 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.597 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.4 99.89 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.658 HG23 ' CG1' ' A' ' 70' ' ' VAL . 27.1 mt -89.44 142.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.73 96.48 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.84 105.69 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.06 169.22 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.3 164.81 14.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.59 -14.6 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -103.89 -34.31 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.689 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 34.9 t-105 -63.13 -28.6 70.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 107.987 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -66.25 -50.98 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.05 -43.29 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -147.84 84.25 7.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.0 124.45 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 13.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 76.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 6.1 tt0 -47.76 -58.46 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.92 -48.72 5.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -57.88 -54.47 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 22.2 mt -39.72 -41.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG3' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -84.35 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.8 mmtt -68.24 -71.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.807 HD11 HG13 ' A' ' 89' ' ' VAL . 64.6 mt -45.69 -28.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' HD13 ' A' ' 49' ' ' LEU . 15.3 mt-10 -60.69 -41.28 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' LYS . 12.3 pt20 -104.79 -3.11 23.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.645 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.2 -33.96 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.644 ' CD1' HD22 ' A' ' 40' ' ' LEU . 39.7 mt -121.78 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 56.63 58.76 8.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.829 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -88.85 -20.65 24.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.695 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -149.83 103.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -114.34 83.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.6 mm-40 -90.35 138.72 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.72 HD13 HG23 ' A' ' 70' ' ' VAL . 24.8 tp -151.14 135.61 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -118.46 129.0 55.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 16.1 m-85 -153.57 165.58 35.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.517 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -141.82 117.59 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.72 HG23 HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -116.06 147.33 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -128.75 99.58 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.829 HG23 ' HG3' ' A' ' 46' ' ' PRO . 13.2 p -94.67 136.4 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 86.8 t -130.38 86.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.49 165.16 24.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.9 p -88.02 1.95 52.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.8 -41.09 97.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 10.7 m-85 -87.12 38.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.71 75.16 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.38 27.12 8.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.0 mtt -96.16 157.11 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.44 170.9 6.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.24 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.64 -54.39 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -46.26 -54.76 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 82.2 mtt180 -43.24 -65.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.77 -54.61 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -43.61 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.807 HG13 HD11 ' A' ' 40' ' ' LEU . 65.5 t -72.77 -55.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 94' ' ' SER . 3.5 m-70 -47.62 -37.03 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.59 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' HB3' HD22 ' A' ' 93' ' ' LEU . . . -74.2 -40.02 62.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.699 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.3 mm? -109.53 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.3 p -75.6 -48.18 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.54 -13.42 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -78.57 -44.31 24.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.741 HD21 HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -97.02 4.42 51.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -119.02 40.02 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.66 -82.51 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -60.37 137.4 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -114.2 -37.19 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.39 120.68 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.741 HD23 HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -138.34 130.21 28.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.547 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -82.49 100.23 9.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.55 HG23 ' CG1' ' A' ' 70' ' ' VAL . 16.8 mt -86.51 129.78 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.494 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -102.26 100.79 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.48 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -130.71 172.47 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.47 166.66 10.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.69 -28.08 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.96 -40.53 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.695 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 69.8 t-105 -52.09 -37.28 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 16.4 mtp-105 -57.14 -51.96 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -55.76 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -140.2 86.12 13.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.566 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.95 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -84.38 119.99 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.549 HD21 ' HB1' ' A' ' 71' ' ' ALA . 16.5 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.905 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -48.15 -46.26 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -60.24 -46.2 90.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.24 -38.8 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.64 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.5 -33.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtp -68.93 -71.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.852 HD11 HG13 ' A' ' 89' ' ' VAL . 51.4 mt -48.33 -24.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' LYS . 4.2 mt-10 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -104.59 -5.45 21.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -96.37 -25.83 15.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 40' ' ' LEU . 94.3 mt -129.98 -45.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.29 59.1 3.29 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.794 ' CD ' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.96 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.16 -20.49 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.785 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.8 t -149.41 107.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.794 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -120.91 104.41 9.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.31 150.7 39.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.905 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -144.44 148.82 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.617 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 tpt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 82.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.414 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.2 t-80 -54.19 101.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -121.74 159.09 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -133.11 121.15 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.583 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -123.92 140.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -118.57 99.73 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.721 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -95.78 139.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 93.3 t -132.6 88.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -135.14 165.7 24.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.6 p -86.62 -5.42 59.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -55.43 -35.69 65.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -94.46 42.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 83.45 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.1 -25.48 28.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.6 166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 168.6 26.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.95 10.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.8 -51.17 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -48.59 -38.89 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.6 mtt180 -52.95 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 12.1 m170 -56.73 -31.75 64.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -66.45 -38.65 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -54.55 -48.44 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.852 HG13 HD11 ' A' ' 40' ' ' LEU . 61.3 t -70.24 -40.22 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 2.7 m-70 -61.53 -38.01 85.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -47.42 85.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.48 57.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.447 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.7 mm? -114.38 60.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.8 OUTLIER -80.98 -28.35 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -83.69 -11.49 57.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 73.7 mm-40 -79.5 -38.04 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.429 HD21 HD23 ' A' ' 104' ' ' LEU . 1.2 mt -99.47 3.5 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.63 39.26 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.46 -77.84 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.413 HG12 HD23 ' A' ' 97' ' ' LEU . 14.3 t -58.51 142.17 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -115.12 -37.46 4.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -162.99 108.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.804 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -123.34 133.22 54.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.45 101.33 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.804 HG12 HD11 ' A' ' 104' ' ' LEU . 31.8 mt -89.48 121.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.14 96.87 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.07 108.69 20.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -133.93 156.63 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.75 165.09 21.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.88 -24.46 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.58 -42.76 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.785 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 42.0 t-105 -52.11 -27.97 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.61 -46.11 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.55 -52.93 63.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -139.54 80.98 20.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -2.08 12.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -81.86 118.17 22.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.482 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 43.7 tt0 -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.35 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.37 80.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 101' ' ' VAL . 50.3 mt -48.5 -42.7 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -80.9 -64.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.24 -35.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.1 mmtp -69.44 -68.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.713 HD21 HG13 ' A' ' 89' ' ' VAL . 44.6 mt -51.29 -22.49 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.5 -41.85 92.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.83 -3.69 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -103.24 -2.54 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 40' ' ' LEU . 51.1 mt -150.77 -46.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.99 60.03 4.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.736 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -178.56 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.19 -20.93 22.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.594 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.1 t -150.85 105.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.69 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.69 89.76 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.84 132.65 45.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.671 HD13 HG23 ' A' ' 70' ' ' VAL . 14.7 tp -139.75 136.7 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.584 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 81.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.7 t-160 -55.72 136.81 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.5 m-85 -159.48 157.98 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.5 ttt180 -133.97 119.82 19.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG23 HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -120.02 146.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.22 100.03 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.736 HG23 ' HG3' ' A' ' 46' ' ' PRO . 14.4 p -98.74 140.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 85.0 t -130.5 88.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -134.25 160.61 37.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.1 p -82.19 -6.98 59.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -37.36 66.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 18.2 m-85 -89.67 39.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.0 104.19 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.44 45.28 96.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.66 169.29 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 167.43 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.53 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.5 tp -75.39 -54.15 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.09 -54.94 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.486 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 90.2 mtt180 -45.03 -68.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -50.43 -45.6 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -49.42 -50.12 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -54.39 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 HD21 ' A' ' 40' ' ' LEU . 69.6 t -63.6 -52.95 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 0.6 OUTLIER -48.78 -45.64 40.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.592 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -47.35 81.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.534 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -65.59 -44.73 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.534 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -113.37 60.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.77 -47.43 46.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -22.21 48.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 96' ' ' GLU . 2.4 mp0 -69.87 -58.49 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.45 -14.86 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.72 63.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.37 -96.13 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -65.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.524 HG21 HD11 ' A' ' 36' ' ' ILE . 31.9 t -69.2 133.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -37.67 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.7 129.41 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -148.11 130.43 15.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.64 96.86 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.548 ' HA ' HG12 ' A' ' 70' ' ' VAL . 8.4 mt -80.8 122.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.433 ' OE1' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -98.17 100.66 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -100.81 111.96 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.26 174.24 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -110.33 164.74 14.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.84 8.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.48 -25.19 11.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.614 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 28.1 t-105 -54.89 -22.73 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -65.96 -49.25 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -136.76 85.38 24.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.614 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.01 1.84 7.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.82 173.04 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.433 HD23 ' OE1' ' A' ' 107' ' ' GLN . 17.4 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.758 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.2 tm-20 -50.36 -43.47 54.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.58 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.64 74.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.8 mt -48.43 -53.56 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.6 ttt180 -66.85 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' CB ' HD21 ' A' ' 93' ' ' LEU . 5.1 mmtt -69.37 -70.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 HG13 ' A' ' 89' ' ' VAL . 96.9 mt -48.36 -23.94 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 37' ' ' ARG . 18.2 mt-10 -64.63 -42.56 95.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -105.14 -2.82 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.19 -17.79 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' CD1' HD22 ' A' ' 40' ' ' LEU . 77.1 mt -135.0 -46.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 63.52 57.69 1.96 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.687 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.08 179.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . 2.6 mm-40 -96.35 -18.71 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.715 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 45.3 t -146.87 107.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -119.33 109.74 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' ALA . 12.1 mm-40 -125.61 132.33 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.4 tt -131.44 146.45 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.599 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 58.5 p . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.567 0.222 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 0.0 OUTLIER -57.12 113.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.588 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.862 ' HB3' HD13 ' A' ' 104' ' ' LEU . 1.5 m-85 -132.05 171.55 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' NH2' ' CB ' ' A' ' 105' ' ' ALA . 1.9 ttm-85 -150.48 110.22 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.676 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -115.38 154.81 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -131.79 99.6 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.687 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -96.63 139.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 84.2 t -132.56 100.98 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -151.11 168.8 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.4 p -82.14 -3.94 55.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.07 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 72' ' ' VAL . 10.4 m-85 -100.79 46.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 94.1 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.94 37.04 91.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.508 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.6 mtm -100.59 160.88 13.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.0 157.64 10.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -28.28 9.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.61 -34.42 23.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -66.78 -39.75 87.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -51.98 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.0 -41.93 71.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -51.41 -55.35 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.98 -41.69 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.744 HG11 HD13 ' A' ' 106' ' ' ILE . 53.2 t -74.47 -58.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' SER . 0.3 OUTLIER -46.82 -35.64 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -45.43 93.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.64 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -72.95 -37.63 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.897 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.6 mm? -118.59 60.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.3 t -71.97 -51.86 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -55.43 -25.89 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.897 ' HG3' HD12 ' A' ' 93' ' ' LEU . 6.6 mm-40 -70.49 -53.56 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 97' ' ' LEU . 1.5 mm? -73.7 -15.52 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.99 72.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.6 -93.07 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 t -79.3 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -106.21 -42.63 5.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.79 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.862 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -115.61 118.64 33.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.668 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.31 99.24 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.744 HD13 HG11 ' A' ' 89' ' ' VAL . 26.2 mt -92.15 140.8 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' CE ' ' A' ' 109' ' ' LYS . 22.4 tt0 -116.62 96.19 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.496 ' HB1' ' CG ' ' A' ' 77' ' ' PHE . . . -89.79 109.32 20.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' CE ' ' CG ' ' A' ' 107' ' ' GLN . 6.3 mttt -126.0 170.61 11.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 111' ' ' PRO . 68.2 p -103.7 163.28 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 1.71 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -29.94 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' GLU . 4.5 mt-30 -85.15 -43.75 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.715 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 71.2 t-105 -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -58.49 -47.47 83.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 113' ' ' GLN . 4.4 mm-40 -50.81 -58.68 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -141.18 85.17 12.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.04 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 127.35 33.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.579 HD21 ' CH2' ' A' ' 114' ' ' TRP . 8.7 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' OE1' ' A' ' 96' ' ' GLU . 71.4 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 20.6 tt0 -45.56 -48.52 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.54 -51.8 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.37 68.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 101' ' ' VAL . 44.5 mt -50.7 -36.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -86.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -39.75 -34.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.6 mmtt -68.66 -71.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.806 ' HG ' HD21 ' A' ' 93' ' ' LEU . 86.8 mt -47.73 -25.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.6 mt-10 -62.51 -42.02 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -104.97 -3.47 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -95.73 -35.93 11.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -119.5 -42.66 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.44 58.47 4.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.855 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.03 -177.75 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.04 -20.74 19.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.789 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 13.8 t -147.5 100.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.716 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -112.58 92.32 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.3 mm-40 -97.54 138.42 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.3 tp -150.04 132.54 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.706 ' N ' HD12 ' A' ' 51' ' ' LEU . 83.5 mmt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 101' ' ' VAL . 41.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.07 110.1 12.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -126.18 149.81 48.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -123.06 118.91 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -119.32 150.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -132.25 99.78 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.855 HG23 ' HG3' ' A' ' 46' ' ' PRO . 14.5 p -95.4 136.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 94.1 t -129.74 90.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.16 159.95 40.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 p -81.25 -9.5 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.075 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.68 -42.82 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.0 m-85 -88.03 41.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.62 74.41 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.13 -26.47 20.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 88' ' ' LEU . 79.6 mtp -40.54 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 156.61 74.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.13 13.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -83.89 -44.64 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.31 -47.6 83.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 59.2 mtt180 -38.86 -57.49 1.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -56.49 -49.46 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -45.7 -49.04 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.425 HD13 ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.69 -46.95 70.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 85' ' ' ARG . 2.5 t -68.4 -51.34 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 3.3 m-70 -49.97 -47.26 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -47.4 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.42 80.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.806 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.5 mm? -112.29 60.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.5 t -80.55 -41.58 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.27 -16.44 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.467 ' OE1' HG13 ' A' ' 32' ' ' VAL . 34.8 mm-40 -75.66 -45.5 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.816 HD21 HD23 ' A' ' 104' ' ' LEU . 1.5 mt -93.92 1.61 56.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -117.28 42.08 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.17 -80.64 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 36' ' ' ILE . 3.9 t -61.79 144.1 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -114.5 -46.96 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.92 114.78 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.816 HD23 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -129.68 126.57 38.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.11 105.46 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.754 HG12 HD11 ' A' ' 104' ' ' LEU . 8.4 mt -87.86 134.48 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.7 96.65 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 107.81 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -132.91 159.2 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.41 165.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.59 8.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.6 -20.3 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -97.36 -41.13 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.789 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 26.1 t-105 -55.75 -31.14 62.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.56 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.46 -54.63 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -137.59 85.14 21.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.496 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.02 -16.84 19.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.91 123.97 20.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.937 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.97 -46.49 11.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -44.53 -63.82 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.81 -49.14 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.13 -58.16 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.14 -37.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.7 mmtt -69.14 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.618 HD11 HG13 ' A' ' 89' ' ' VAL . 76.7 mt -47.9 -24.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.4 mt-10 -62.34 -44.48 96.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -104.6 -3.29 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -99.33 -8.15 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -145.14 -47.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.92 59.19 2.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.027 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.743 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.18 -23.06 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.586 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -145.75 106.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.27 106.45 13.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.2 mm-40 -120.3 124.56 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.937 HD13 ' HG2' ' A' ' 33' ' ' GLU . 2.0 tt -125.58 142.86 51.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.639 ' N ' HD23 ' A' ' 51' ' ' LEU . 20.5 mmm-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -90.81 114.57 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.0 m-85 -126.53 168.44 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -148.54 124.88 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.605 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.5 p -129.19 153.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.532 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -130.05 99.62 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.81 135.81 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.474 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.6 t -126.74 91.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.09 165.45 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.34 -12.4 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -40.56 49.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.79 41.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.7 82.6 8.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -32.3 7.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.442 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 4.6 mmm -38.95 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.7 167.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -73.82 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -39.99 -40.13 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 60.2 mtt180 -52.7 -68.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.81 -47.79 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.625 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -46.49 -51.05 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -40.61 60.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.854 HG11 HD13 ' A' ' 106' ' ' ILE . 85.3 t -74.57 -52.63 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.467 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 1.8 m80 -51.88 -47.89 64.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -45.53 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -63.67 -42.11 98.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.529 HD23 HD21 ' A' ' 40' ' ' LEU . 3.3 mm? -118.63 60.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.5 OUTLIER -68.44 -49.1 62.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -38.19 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.02 -61.21 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 90' ' ' HIS . 1.8 mm? -61.15 -25.52 67.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.68 64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.94 -101.76 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.804 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 t -76.11 125.17 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -44.0 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.75 97.49 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -106.19 111.45 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.599 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.92 95.78 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.854 HD13 HG11 ' A' ' 89' ' ' VAL . 13.0 mt -86.32 145.2 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.21 96.9 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.59 111.84 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -132.08 -178.88 5.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.91 164.47 19.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.0 -20.13 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -95.98 -42.63 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.586 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 52.1 t-105 -53.14 -30.45 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -64.52 -52.54 57.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -52.37 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -140.98 83.8 13.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -75.03 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.43 130.01 38.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 71' ' ' ALA . 49.6 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.836 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -50.31 -49.67 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -45.63 -49.79 13.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.73 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -50.06 -56.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -62.44 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.65 -37.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' CB ' HD21 ' A' ' 93' ' ' LEU . 5.2 mmtt -67.43 -71.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.664 HD11 HG13 ' A' ' 89' ' ' VAL . 66.3 mt -47.15 -28.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -58.22 -43.72 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -104.72 -3.7 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.09 -4.0 28.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -151.62 -46.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.47 59.56 3.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.738 ' CD ' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 179.01 6.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -89.3 -21.38 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.616 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 39.4 t -148.35 108.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.738 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -121.16 101.43 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.24 148.56 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.836 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -146.37 149.36 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.72 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -79.22 119.46 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.592 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.643 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.2 m-85 -130.86 178.71 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 105.29 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.684 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -111.07 147.44 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.24 100.33 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.0 p -95.54 142.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.4 t -134.89 93.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -141.7 167.33 22.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 p -85.97 -3.88 59.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.19 -39.36 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.2 m-85 -93.42 43.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.78 76.68 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.35 -30.79 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.444 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 3.4 mmm -43.51 150.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.52 167.39 1.78 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.48 11.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.75 -61.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -38.84 -41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 34.3 mtt180 -47.85 -64.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -51.29 -33.08 27.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' GLU . 10.3 ttt-85 -64.51 -43.16 94.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -50.15 -46.91 54.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 40' ' ' LEU . 76.5 t -71.48 -50.57 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.609 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -53.54 -31.04 44.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.555 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -66.25 -42.64 88.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.771 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -78.47 -37.36 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 92' ' ' ALA . 2.1 mm? -119.76 61.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER -73.55 -48.73 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.23 -15.53 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.665 ' HG2' HD12 ' A' ' 93' ' ' LEU . 11.4 mp0 -77.3 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.609 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -64.76 -21.48 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.72 57.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.77 -99.87 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.05 125.75 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -104.9 -42.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.33 100.98 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -114.33 123.63 49.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.698 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -79.33 96.68 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.642 HG23 ' CG1' ' A' ' 70' ' ' VAL . 12.6 mt -87.93 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.91 96.32 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.87 114.94 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -133.81 -178.43 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -116.12 164.25 18.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.6 -30.57 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -86.2 -41.37 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.645 ' CZ3' HD21 ' A' ' 120' ' ' LEU . 71.5 t-105 -49.21 -37.53 23.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -53.07 -55.07 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.92 -56.95 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -134.01 85.77 39.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.634 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 2.87 6.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.81 176.81 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.645 HD21 ' CZ3' ' A' ' 114' ' ' TRP . 11.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 96' ' ' GLU . 72.6 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.954 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -42.41 -55.63 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -40.03 -55.67 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.09 74.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -48.42 -67.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG3' HD22 ' A' ' 49' ' ' LEU . 8.5 ttp180 -55.09 -57.25 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.71 -40.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.65 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -67.66 -71.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.882 HD12 HD12 ' A' ' 44' ' ' LEU . 4.0 mm? -44.02 -33.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -56.21 -42.81 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' LYS . 22.7 pt20 -104.17 -3.45 24.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.72 -9.39 20.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.882 HD12 HD12 ' A' ' 40' ' ' LEU . 99.0 mt -144.35 -46.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.26 60.36 3.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.712 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.56 -22.53 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.708 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.4 t -147.08 109.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.48 105.23 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 6.0 mm-40 -118.88 130.33 55.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.954 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.7 tt -131.08 144.39 51.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.698 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.14 122.85 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.542 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.696 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.2 m-85 -136.05 171.96 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.757 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -153.65 116.93 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.779 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -121.15 139.03 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.516 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -115.47 99.24 7.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.0 p -93.38 140.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.3 t -133.38 87.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -134.58 165.74 24.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -84.38 -7.45 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -39.22 70.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE2' HG13 ' A' ' 72' ' ' VAL . 9.9 m-85 -88.1 38.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.39 106.7 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.26 44.29 84.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p -90.3 167.86 15.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 84' ' ' GLN . 14.4 mt -68.66 -67.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.5 mt-30 -36.61 -53.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 84.8 mtt180 -44.05 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -56.11 -46.65 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -49.05 64.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.612 ' HA ' HD11 ' A' ' 40' ' ' LEU . 94.7 t -70.03 -50.33 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.543 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 3.3 m80 -52.07 -38.93 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -45.99 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.414 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -58.14 -49.1 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 39' ' ' LYS . 3.6 mm? -118.85 62.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.5 t -68.19 -36.22 79.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.78 -37.39 87.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.633 ' OE1' HG13 ' A' ' 32' ' ' VAL . 31.1 mm-40 -55.38 -64.02 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 90' ' ' HIS . 2.6 mm? -53.66 -22.39 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.72 67.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.81 -100.83 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 t -83.63 129.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.57 -40.91 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.569 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.57 101.43 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -115.21 113.76 24.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.757 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -78.84 103.68 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.779 HG23 ' CG1' ' A' ' 70' ' ' VAL . 12.8 mt -92.48 142.22 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.613 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -112.02 103.13 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.16 107.06 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -133.92 155.63 49.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.6 p -90.7 163.88 28.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.49 8.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.92 -22.27 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -94.18 -40.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.708 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 43.5 t-105 -53.76 -34.2 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -62.41 -48.03 81.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -46.86 83.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -146.22 83.62 8.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.497 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.07 -9.62 20.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -72.18 118.96 15.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.516 HD21 ' HB1' ' A' ' 71' ' ' ALA . 18.7 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 71.1 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 5.6 tt0 -52.62 -59.31 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.02 -43.16 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' C ' ' N ' ' A' ' 37' ' ' ARG . . . -63.36 -56.91 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' ALA . 44.5 mt -39.5 -32.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.81 -68.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.68 -30.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.3 mmtm -68.73 -69.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.698 HD11 HG13 ' A' ' 89' ' ' VAL . 93.8 mt -49.17 -25.37 2.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' HG3' HD13 ' A' ' 49' ' ' LEU . 16.7 mt-10 -62.7 -42.02 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -104.6 -3.58 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -102.99 -9.7 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.572 ' CD1' HD22 ' A' ' 40' ' ' LEU . 57.2 mt -145.67 -46.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.68 58.79 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.758 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 -178.98 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.22 -20.7 23.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.65 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 19.8 t -149.97 107.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -115.79 89.76 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 6.7 mm-40 -100.32 127.6 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 52' ' ' ARG . 8.0 tp -140.5 136.3 32.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.733 ' N ' HD12 ' A' ' 51' ' ' LEU . 41.9 mmt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.89 98.03 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.611 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.4 m-85 -115.13 163.47 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.9 121.35 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -121.5 151.99 24.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -134.21 100.05 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 46' ' ' PRO . 13.6 p -99.16 141.82 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 97.5 t -131.71 88.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.433 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -134.98 162.74 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 p -82.3 -9.22 59.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.9 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 6.6 m-85 -93.22 43.25 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.05 88.2 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.78 29.41 42.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.35 158.51 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 169.92 4.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.14 12.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.24 -56.73 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -43.6 -47.8 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 36.1 mtt-85 -49.57 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 12.0 m170 -56.43 -32.38 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -66.3 -38.21 87.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' GLN . 0.5 OUTLIER -57.41 -54.2 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.698 HG13 HD11 ' A' ' 40' ' ' LEU . 71.6 t -65.91 -40.8 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 2.1 m-70 -61.43 -39.35 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -43.91 92.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -73.45 -41.6 63.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -120.53 63.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.5 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -77.89 -50.26 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 98' ' ' ALA . 2.5 mt-10 -59.02 -22.03 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.3 mp0 -64.93 -40.03 94.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.93 9.33 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 95' ' ' GLU . . . -119.45 50.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.3 -73.48 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 96' ' ' GLU . 3.2 t -65.96 140.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.15 -33.59 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -169.04 111.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -127.49 131.39 50.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.436 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -72.98 96.39 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.55 ' HA ' HG12 ' A' ' 70' ' ' VAL . 23.0 mt -81.33 126.44 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.36 96.73 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -96.93 109.53 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.48 177.46 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.64 165.09 15.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.1 8.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -21.3 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -97.48 -40.69 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.65 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 29.6 t-105 -55.24 -27.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -63.78 -54.71 30.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.75 -56.02 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -138.73 87.78 14.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.6 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -11.95 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -72.37 119.1 16.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 71' ' ' ALA . 13.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.65 HG13 ' OE2' ' A' ' 96' ' ' GLU . 82.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 3.7 tt0 -46.12 -57.2 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.09 -49.01 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -52.56 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 mt -41.99 -59.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.4 ttt180 -64.18 -62.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -36.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.633 ' CB ' HD21 ' A' ' 93' ' ' LEU . 3.2 mmtt -68.92 -71.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD11 HG13 ' A' ' 89' ' ' VAL . 50.0 mt -47.09 -25.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 39' ' ' LYS . 10.8 mt-10 -64.41 -40.96 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -104.75 -4.86 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.56 -3.09 29.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -151.04 -46.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 58.67 59.68 5.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.814 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.93 -179.18 4.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -87.42 -21.17 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.524 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.4 t -149.79 106.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -119.63 99.04 6.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.7 mm-40 -107.31 139.6 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.615 HD13 HG23 ' A' ' 70' ' ' VAL . 30.4 tp -152.15 135.87 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' NH1' ' OE2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.532 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 2.7 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.44 126.27 38.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' HB3' HD13 ' A' ' 104' ' ' LEU . 7.2 m-85 -139.09 179.02 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.27 111.19 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.84 146.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.09 99.29 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 46' ' ' PRO . 11.0 p -96.07 139.91 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.489 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 98.8 t -133.34 88.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -136.37 166.6 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 p -83.23 -10.49 58.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -48.45 -43.94 34.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -92.11 46.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.51 81.1 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.79 28.14 36.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.48 171.94 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 166.22 41.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.931 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -26.99 10.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.48 -57.2 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.523 ' O ' HD23 ' A' ' 88' ' ' LEU . 39.1 mt-30 -42.77 -42.32 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 47.4 mtt180 -54.22 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -54.62 -32.28 58.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.584 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -66.72 -41.7 87.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -51.33 -53.71 33.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.673 HG13 HD11 ' A' ' 40' ' ' LEU . 62.6 t -65.98 -51.01 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.471 ' O ' ' CA ' ' A' ' 94' ' ' SER . 1.3 m80 -51.47 -36.8 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -63.58 -45.23 91.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.722 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -68.22 -43.77 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.722 HD22 ' C ' ' A' ' 92' ' ' ALA . 2.6 mm? -118.17 61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 26.5 t -76.87 -27.82 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -14.47 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.65 ' OE2' HG13 ' A' ' 32' ' ' VAL . 8.1 mm-40 -81.19 -64.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.8 mm? -55.67 -20.93 15.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.42 66.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.22 -100.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 t -70.17 124.28 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.532 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -110.29 -16.87 13.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -163.21 121.57 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.3 tp -144.18 118.29 9.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.422 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -76.26 95.97 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' ' 70' ' ' VAL . 10.8 mt -80.01 137.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.478 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -111.49 96.18 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.37 109.25 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -131.75 -178.23 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 165.52 18.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.04 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.01 -17.6 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -99.79 -35.93 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.524 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 51.8 t-105 -59.57 -29.44 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -65.51 -40.4 92.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.87 -50.72 72.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -144.43 85.96 8.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.05 0.55 8.79 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -81.01 119.99 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.497 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 27.5 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 36' ' ' ILE . 62.9 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.963 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -46.91 -36.69 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.25 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -58.85 -42.73 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.727 HD11 HG12 ' A' ' 32' ' ' VAL . 78.7 mt -54.04 -48.21 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.36 -62.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.11 -36.05 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 35' ' ' ALA . 8.6 mmtm -69.64 -69.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.735 ' CD2' HG13 ' A' ' 89' ' ' VAL . 59.7 mt -48.75 -23.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 7.8 mt-10 -64.63 -42.81 95.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.69 -3.48 23.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.69 -10.38 23.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.6 mt -143.1 -47.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.518 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 13.2 p 63.71 58.27 1.88 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.761 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 -23.4 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.61 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.8 t -145.45 108.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.91 101.57 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 6.1 mm-40 -115.6 127.31 55.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.963 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.6 tt -125.99 142.33 51.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.618 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 100.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' HB2' ' CD1' ' A' ' 104' ' ' LEU . 2.0 m-85 -119.27 177.46 4.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.25 109.44 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.824 ' CG1' HG23 ' A' ' 106' ' ' ILE . 2.5 p -111.72 151.2 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.563 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -130.16 99.62 5.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.761 HG23 ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.94 138.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.6 t -132.7 89.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -136.04 166.62 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.45 -3.22 58.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -38.83 85.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 72' ' ' VAL . 6.8 m-85 -87.59 38.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -85.26 89.08 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.16 -38.32 3.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.498 ' CE ' ' CD1' ' A' ' 88' ' ' LEU . 5.8 mmm -37.4 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.81 158.86 21.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.29 11.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.29 -49.33 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -53.71 -38.83 64.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 44.8 mtt180 -48.69 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -53.02 -41.43 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD1' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -60.91 -39.34 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.735 HG13 ' CD2' ' A' ' 40' ' ' LEU . 6.3 t -76.86 -39.43 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 94' ' ' SER . 11.1 m170 -64.18 -42.94 96.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.28 -48.27 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.453 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -58.29 -48.5 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -114.63 60.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' HIS . 37.3 t -74.99 -17.94 60.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.88 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.96 -58.03 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.586 HD13 HG12 ' A' ' 101' ' ' VAL . 2.3 mm? -57.96 -29.52 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.43 66.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.15 -102.17 0.17 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -74.95 -46.45 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.586 HG12 HD13 ' A' ' 97' ' ' LEU . 71.1 t -86.6 130.56 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -111.84 -50.03 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.94 107.43 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -118.88 121.03 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.633 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -85.43 95.44 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.824 HG23 ' CG1' ' A' ' 70' ' ' VAL . 10.8 mt -87.2 145.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.38 96.5 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.74 109.25 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -134.1 163.18 30.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -98.79 164.61 16.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.39 8.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.25 -20.41 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -95.83 -41.38 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.61 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 53.9 t-105 -54.11 -34.4 60.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -60.36 -50.38 73.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -57.46 12.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -135.03 82.64 42.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.95 -7.8 19.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.93 121.59 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.563 HD11 ' CB ' ' A' ' 71' ' ' ALA . 21.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' HD23 ' A' ' 51' ' ' LEU . 22.4 tt0 -46.82 -53.95 10.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.6 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.58 79.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.3 mt -49.42 -40.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -62.59 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.4 -36.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mmtt -69.03 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.669 HD21 HG13 ' A' ' 89' ' ' VAL . 96.8 mt -49.08 -23.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' LYS . 8.9 mt-10 -65.27 -41.37 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.14 -3.59 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -102.26 -0.14 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -151.56 -46.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.83 57.99 2.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.699 ' CG ' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 173.06 15.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.807 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.12 -18.7 26.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.879 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.2 t -150.09 104.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.76 92.25 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.0 mm-40 -97.86 133.65 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 70' ' ' VAL . 19.2 tp -144.45 138.74 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 6.9 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.13 118.04 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.628 ' HB3' HD13 ' A' ' 104' ' ' LEU . 3.8 m-85 -133.13 175.06 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -151.25 116.74 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.747 ' CG1' HG23 ' A' ' 106' ' ' ILE . 1.2 p -121.0 131.25 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -112.02 99.42 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.67 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.8 p -93.26 141.29 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.3 t -133.61 96.34 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.473 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -147.61 167.45 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -80.12 -16.21 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.62 -36.75 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -97.59 43.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -85.28 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.72 20.09 75.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.505 ' CE ' HD13 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -83.0 161.16 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.39 164.98 9.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.45 2.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.66 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -43.39 -44.63 5.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -47.95 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -58.23 -33.42 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.25 -55.5 33.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.505 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.99 -38.86 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.669 HG13 HD21 ' A' ' 40' ' ' LEU . 71.2 t -79.21 -57.16 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.433 ' O ' ' CA ' ' A' ' 94' ' ' SER . 2.1 m-70 -48.53 -28.27 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -46.14 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.91 71.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.26 61.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -80.9 -23.59 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.25 -14.2 47.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -79.43 -35.22 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 101' ' ' VAL . 0.7 OUTLIER -101.85 5.78 41.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.4 36.77 4.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.412 HG11 ' CB ' ' A' ' 104' ' ' LEU . 8.1 t -57.15 130.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.535 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -112.7 -15.39 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.23 99.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -115.47 124.32 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.637 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -84.25 100.3 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.747 HG23 ' CG1' ' A' ' 70' ' ' VAL . 24.8 mt -89.42 143.73 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.72 97.26 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.49 111.98 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.06 -177.07 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -119.08 164.0 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.85 -14.8 14.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.92 -35.87 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.879 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 52.8 t-105 -60.07 -29.01 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -61.91 -50.34 72.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.19 -52.6 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -135.91 85.42 29.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.611 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.782 . . . . 0.0 111.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.25 172.57 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 26.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.895 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -40.03 -49.08 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.84 -61.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.48 74.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -49.06 -57.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' GLU . 3.5 ttt180 -62.65 -62.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' CB ' HD21 ' A' ' 93' ' ' LEU . 3.4 mmtm -69.26 -70.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 91.2 mt -48.05 -24.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.6 mt-10 -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -105.05 -2.92 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -96.49 -29.1 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD11 HG22 ' A' ' 89' ' ' VAL . 79.8 mt -125.37 -43.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.52 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.36 58.34 3.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.759 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -75.0 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.14 -22.63 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.53 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 29.7 t -143.72 107.11 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.13 101.99 8.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.0 mm-40 -119.48 125.18 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.895 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.7 tt -123.39 143.11 50.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.625 ' N ' HD23 ' A' ' 51' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 104.3 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.552 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.929 ' HB3' HD13 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -120.38 163.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.76 101.01 3.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.701 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.3 p -104.77 149.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -126.19 99.6 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.759 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.4 p -97.47 140.83 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 95.9 t -135.15 94.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.443 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -140.26 158.7 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.048 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -79.18 3.15 18.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -41.02 92.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 4.6 m-85 -90.45 42.24 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.56 87.5 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.81 -36.1 4.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.435 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.2 mmm -41.73 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.81 161.16 73.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.06 11.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.13 -54.35 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -48.85 -34.7 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mtt180 -53.75 -69.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -48.37 -44.67 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -49.69 -51.05 41.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.435 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.82 -45.96 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.769 HG11 HD13 ' A' ' 106' ' ' ILE . 42.4 t -70.98 -55.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 94' ' ' SER . 0.7 OUTLIER -48.19 -44.28 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.37 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -63.18 -47.16 83.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 39' ' ' LYS . 3.7 mm? -116.4 62.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 39.3 t -67.91 -45.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.49 -39.45 76.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.34 -55.93 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 104' ' ' LEU . 2.3 mm? -68.85 -30.93 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 74.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.84 -94.31 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.2 t -77.25 127.02 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.74 -50.78 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.44 104.4 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.929 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -115.42 112.4 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -72.37 98.41 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.769 HD13 HG11 ' A' ' 89' ' ' VAL . 14.9 mt -91.05 145.47 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.604 ' O ' HG12 ' A' ' 72' ' ' VAL . 5.3 tt0 -118.05 97.57 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.09 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -133.3 169.09 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.1 p -109.57 167.7 8.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.75 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -85.49 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.62 ' CZ3' HD21 ' A' ' 120' ' ' LEU . 72.6 t-105 -50.38 -39.05 45.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -54.61 -45.52 73.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -58.23 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.75 83.82 18.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.44 132.15 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.62 HD21 ' CZ3' ' A' ' 114' ' ' TRP . 6.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' HD21 ' A' ' 51' ' ' LEU . 10.6 tt0 -48.87 -59.63 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLU . . . -39.72 -53.76 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.73 -55.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' CG1' ' OE2' ' A' ' 96' ' ' GLU . 37.1 mt -41.0 -50.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' GLU . 6.9 ttt180 -72.56 -64.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.04 -33.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.0 mmtt -70.13 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.783 HD21 HG13 ' A' ' 89' ' ' VAL . 46.3 mt -51.29 -22.47 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.2 mt-10 -64.23 -43.77 93.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -104.64 -3.82 23.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -99.71 -4.53 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -150.31 -46.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.504 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.76 59.75 4.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.74 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.02 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.38 -21.57 21.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.917 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.9 t -149.35 103.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.43 86.36 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.0 mm-40 -92.96 140.16 29.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.88 ' HB2' HG23 ' A' ' 70' ' ' VAL . 7.8 tp -151.72 136.06 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.742 ' N ' HD12 ' A' ' 51' ' ' LEU . 28.4 mmt85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.529 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 4.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 125.42 29.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' HB3' HD13 ' A' ' 104' ' ' LEU . 4.3 m-85 -141.78 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 112.47 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -115.53 148.44 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -131.92 99.76 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.74 HG23 ' HG3' ' A' ' 46' ' ' PRO . 7.6 p -94.98 139.71 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.488 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 95.4 t -133.13 92.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -139.15 165.02 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.7 p -85.37 -1.11 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -42.29 93.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 14.4 m-85 -88.39 39.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.79 106.4 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.28 45.62 92.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -172.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -92.26 166.94 16.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.07 4.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' GLN . 4.1 mm? -70.42 -67.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.0 mt-30 -35.75 -49.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 89.6 mtt180 -46.97 -67.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -56.5 -36.12 68.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -60.02 -42.73 94.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.91 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 40' ' ' LEU . 96.6 t -59.55 -55.66 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -50.85 -46.83 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.83 -37.94 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' A' ' 93' ' ' LEU . . . -80.11 -38.01 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 92' ' ' ALA . 2.4 mm? -113.93 58.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.6 t -75.79 -12.23 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.81 -32.46 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.43 ' OE2' ' CG1' ' A' ' 36' ' ' ILE . 6.2 mm-40 -62.38 -63.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 97' ' ' LEU . 2.3 mm? -55.86 -25.93 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.62 64.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.99 -102.5 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 101' ' ' VAL . 2.2 t -75.46 117.41 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.529 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -111.73 -15.95 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -163.32 101.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -127.28 118.45 24.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.442 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.06 102.19 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.541 ' HA ' HG12 ' A' ' 70' ' ' VAL . 8.8 mt -86.87 137.36 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.54 96.09 5.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.54 110.21 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -132.68 -179.96 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.5 166.0 13.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.07 8.15 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.51 -30.82 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -87.73 -41.09 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.917 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 28.5 t-105 -51.43 -24.62 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -64.39 -50.28 68.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.59 -38.92 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.74 94.98 1.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.595 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.98 -1.61 11.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -91.52 121.32 33.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.486 HD21 ' HB1' ' A' ' 71' ' ' ALA . 9.7 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG13 ' OE1' ' A' ' 96' ' ' GLU . 75.9 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 5.8 tt0 -48.84 -60.48 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.28 -49.19 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -58.36 -55.1 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.4 mt -39.57 -42.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.93 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.81 -35.29 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -69.03 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 89' ' ' VAL . 34.7 mt -49.71 -23.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.03 -41.21 97.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -105.17 -3.22 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.15 -5.47 27.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.6 mt -148.66 -46.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 9.8 p 61.21 57.78 3.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.707 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.03 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.45 -17.52 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.756 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 12.0 t -149.61 107.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -122.37 87.68 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -96.41 143.64 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.884 ' HB2' HG23 ' A' ' 70' ' ' VAL . 43.7 tp -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 71.6 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.408 ' N ' ' OG1' ' A' ' 66' ' ' THR . 0.1 OUTLIER -85.36 96.33 9.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.708 ' HB3' HD13 ' A' ' 104' ' ' LEU . 9.2 m-85 -111.45 175.42 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -154.33 109.61 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.884 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -113.16 137.82 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.578 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -118.23 98.89 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.707 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -93.03 135.25 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 82.0 t -130.11 85.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.44 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.08 166.91 20.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.3 p -89.7 -3.39 58.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -28.64 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 15.1 m-85 -97.5 39.67 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.72 94.5 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.31 -40.33 2.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.451 ' CE ' HD13 ' A' ' 88' ' ' LEU . 2.4 mmm -37.96 149.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 0.774 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 82' ' ' PRO . 0.5 OUTLIER -59.24 173.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 81' ' ' SER . 18.3 Cg_endo -75.03 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -70.84 -58.87 3.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -38.7 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 57.9 mtt180 -58.12 -68.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -49.63 -40.61 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.04 -54.73 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.451 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -47.79 -33.16 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.699 HG11 HD13 ' A' ' 106' ' ' ILE . 41.4 t -82.86 -54.84 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' SER . 2.3 m-70 -50.64 -41.55 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -45.81 92.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.9 80.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' ' 96' ' ' GLU . 2.8 mm? -116.91 61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -80.04 -40.85 26.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.952 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -14.58 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.501 ' HG3' HD12 ' A' ' 93' ' ' LEU . 7.1 mm-40 -80.48 -35.13 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD21 HD23 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -103.98 7.28 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.58 40.13 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.79 -76.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.544 ' O ' ' CE1' ' A' ' 102' ' ' HIS . 18.1 Cg_endo -75.05 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.17 145.48 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 100' ' ' PRO . 1.4 m80 -114.23 -55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -129.44 102.91 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' A' ' 68' ' ' PHE . 2.1 tp -115.17 113.62 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.2 98.57 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.699 HD13 HG11 ' A' ' 89' ' ' VAL . 9.1 mt -84.43 145.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -119.65 96.41 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -92.8 109.9 21.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -135.85 171.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.4 164.63 14.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.556 1.819 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.04 -15.88 14.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -100.89 -36.92 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.756 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 59.6 t-105 -57.5 -31.34 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -63.91 -49.64 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.82 -51.59 66.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -144.87 87.03 7.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.552 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.5 Cg_endo -74.97 -19.91 17.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.92 114.17 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 71' ' ' ALA . 9.3 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 4.9 tt0 -49.95 -54.81 17.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.39 -47.13 26.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.51 HD11 HG21 ' A' ' 101' ' ' VAL . 51.6 mt -41.89 -40.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.44 -60.95 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.98 -33.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.9 mmtt -69.76 -71.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.93 HD11 HG13 ' A' ' 89' ' ' VAL . 28.9 mt -50.1 -23.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.57 -42.23 95.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -104.75 -3.86 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.05 -4.18 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 40' ' ' LEU . 29.5 mt -150.29 -46.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.513 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.73 59.25 4.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.781 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.07 -178.12 3.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 5.2 mm-40 -88.37 -20.33 25.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.804 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.0 t -151.72 102.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -115.78 82.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 12.6 mm-40 -88.12 144.38 26.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.722 ' HB2' HG23 ' A' ' 70' ' ' VAL . 9.7 tp -152.17 135.4 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.651 ' H ' HD12 ' A' ' 51' ' ' LEU . 56.9 mmm-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.073 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.79 126.9 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 30.8 m-85 -146.89 170.16 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.49 111.76 7.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.722 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -112.29 144.7 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.64 99.86 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.781 HG23 ' HG3' ' A' ' 46' ' ' PRO . 12.4 p -94.0 139.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 76.1 t -132.38 86.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.9 165.39 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -84.11 -5.87 59.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.39 -41.88 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -94.46 46.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.83 62.4 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.94 -14.65 12.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 76' ' ' ARG . 16.4 mtp -46.91 173.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.71 162.09 69.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.0 13.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.18 -48.74 8.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' ARG . 64.2 mt-30 -51.35 -50.5 59.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.8 mtt180 -39.18 -63.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.65 -35.23 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLN . 19.8 ttt180 -62.65 -47.6 83.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.49 -52.07 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.93 HG13 HD11 ' A' ' 40' ' ' LEU . 75.8 t -64.82 -58.18 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 22.1 m170 -45.09 -57.79 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -42.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -75.63 -41.89 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.2 mm? -115.88 63.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.6 t -77.31 -40.42 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.81 -30.67 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.546 ' HG3' HD12 ' A' ' 93' ' ' LEU . 7.7 mm-40 -61.77 -58.96 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.431 HD13 HG12 ' A' ' 101' ' ' VAL . 1.5 mm? -60.26 -27.62 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.58 62.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.36 -102.4 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.51 HG21 HD11 ' A' ' 36' ' ' ILE . 21.4 t -79.96 113.28 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -97.22 -35.69 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.31 109.95 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -126.9 124.81 40.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.468 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -79.44 101.12 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.534 ' HA ' HG12 ' A' ' 70' ' ' VAL . 33.2 mt -85.81 141.76 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.24 98.93 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -98.07 117.08 31.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.62 -174.3 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 p -121.58 163.46 30.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.63 -20.68 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -98.87 -36.3 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.804 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 27.3 t-105 -58.45 -27.53 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.85 -58.18 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -134.49 82.11 46.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.55 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -86.2 121.18 28.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 39.9 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG13 ' OE1' ' A' ' 96' ' ' GLU . 91.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 51' ' ' LEU . 14.4 tt0 -45.28 -56.5 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.11 -50.21 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.35 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -43.83 -39.07 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 15.0 ttp-105 -81.29 -65.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.14 -32.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.5 mmtt -69.47 -71.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 44' ' ' LEU . 61.3 mt -50.04 -23.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.15 -45.79 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -105.29 -3.04 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.59 0.29 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.78 ' CD1' HD22 ' A' ' 40' ' ' LEU . 82.7 mt -152.65 -46.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.531 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 64.12 57.58 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.691 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.03 -23.11 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 45.4 t -147.25 107.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -114.68 94.56 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.0 mm-40 -100.3 131.04 46.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.782 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.2 tp -144.97 134.96 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.782 ' N ' HD12 ' A' ' 51' ' ' LEU . 34.1 mmm-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.8 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.73 115.27 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.724 ' HB3' HD13 ' A' ' 104' ' ' LEU . 5.6 m-85 -130.58 171.24 13.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.53 108.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.652 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.71 144.9 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -130.34 99.96 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 46' ' ' PRO . 11.4 p -96.74 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.7 t -138.18 92.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -142.43 164.54 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -80.23 -19.02 47.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -42.11 -38.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -94.17 44.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 97.28 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.38 24.22 72.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.499 ' CE ' HD13 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -86.13 157.9 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 0.81 . . . . 0.0 111.031 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.71 160.74 7.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.9 -42.54 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.74 -41.46 77.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -51.11 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.09 -30.05 61.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -57.96 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.499 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -44.04 -34.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.617 HG13 HD21 ' A' ' 40' ' ' LEU . 59.0 t -83.21 -57.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.507 ' O ' ' CA ' ' A' ' 94' ' ' SER . 2.3 m-70 -47.53 -36.57 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -44.53 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.542 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -70.83 -42.49 70.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.57 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.7 mm? -120.75 63.83 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.6 OUTLIER -81.76 -32.6 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.29 -23.02 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.57 ' HG3' HD12 ' A' ' 93' ' ' LEU . 6.8 mm-40 -71.21 -39.79 71.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.626 HD21 HD23 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -99.67 7.18 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -122.72 43.32 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.6 -78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.1 t -63.91 140.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -111.55 -54.03 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.55 103.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.1 tp -116.36 120.35 38.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.445 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.34 99.5 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.559 ' HA ' HG12 ' A' ' 70' ' ' VAL . 9.9 mt -86.33 140.79 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.92 96.29 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.83 114.59 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.11 -179.07 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 p -118.65 164.29 21.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.73 -14.16 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -103.16 -34.98 8.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.561 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 59.1 t-105 -60.67 -35.99 77.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 107.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 15.6 mtp-105 -60.74 -42.14 96.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.42 -51.17 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.09 81.89 15.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -3.16 13.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.426 1.75 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -80.79 120.95 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 25.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.03 137.15 37.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 0.736 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.05 169.86 16.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.48 -60.71 0.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.9 p -43.58 152.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -95.12 105.29 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 -157.31 33.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.9 143.99 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.18 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 m 45.24 78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.66 116.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -67.25 120.15 13.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.6 m -89.14 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.3 t 62.67 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p 179.83 101.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 157.29 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.97 -77.43 0.26 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t -125.26 110.76 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.68 129.53 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.97 56.57 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.96 166.04 15.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.55 147.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 149.82 49.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.78 -172.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.53 -167.72 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.35 11.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.803 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -77.26 -60.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 28.1 tt0 -50.87 -58.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.66 -53.1 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -55.38 26.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.434 HD11 HG21 ' A' ' 101' ' ' VAL . 46.6 mt -42.05 -36.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.34 -35.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -69.02 -71.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 89' ' ' VAL . 53.3 mt -48.34 -24.27 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 39' ' ' LYS . 6.0 mt-10 -62.81 -43.65 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -104.1 -3.5 24.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.6 -3.64 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -150.69 -46.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.508 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 15.0 p 60.15 59.45 4.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.728 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.01 -179.3 4.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.4 -20.83 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.576 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 15.0 t -150.7 107.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.702 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.84 96.77 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 16.7 mm-40 -104.71 140.48 37.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.704 ' HB2' HG23 ' A' ' 70' ' ' VAL . 29.2 tp -150.19 140.38 22.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.26 169.79 22.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -95.11 122.87 38.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -89.65 -64.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t 38.78 69.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.45 118.45 0.83 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.01 -92.16 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.403 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -54.09 -173.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.639 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.49 73.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.403 HG21 ' CE1' ' A' ' 58' ' ' HIS . 10.2 m -123.08 144.41 43.24 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.29 35.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.449 1.763 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.29 142.75 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.4 -27.33 8.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.36 111.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -110.41 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -99.79 -39.46 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.03 125.28 42.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' LEU . 1.9 m-85 -140.66 161.69 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.755 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.28 123.1 21.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -123.14 147.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.55 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -125.06 99.49 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.728 HG23 ' HG3' ' A' ' 46' ' ' PRO . 7.5 p -96.54 137.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 85.7 t -130.03 87.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -133.51 163.62 28.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 p -81.36 -15.72 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -46.12 -42.27 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.5 42.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.38 94.93 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.6 41.75 93.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.16 179.43 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.32 159.12 75.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.81 11.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.19 -49.06 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -50.55 -48.04 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 85.9 mtt180 -45.91 -64.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.04 -45.12 67.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -50.3 -50.38 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.59 -57.1 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 40' ' ' LEU . 48.8 t -62.63 -58.14 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.475 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 13.9 m170 -43.69 -42.03 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.64 76.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.87 89.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 2.3 mm? -112.21 59.61 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.16 -34.97 68.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.29 -30.26 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 8.3 mm-40 -63.87 -53.07 56.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.475 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.5 mm? -70.14 -16.94 63.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.39 62.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.86 -96.44 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 104' ' ' LEU . 6.5 t -74.93 127.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -166.14 111.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.705 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -130.44 128.94 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.755 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.6 99.57 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.705 HG12 HD11 ' A' ' 104' ' ' LEU . 37.8 mt -87.44 126.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -96.84 103.34 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . . . -100.41 105.72 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -127.03 -176.93 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 164.13 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.86 8.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.78 -35.38 7.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -82.7 -42.03 18.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.576 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 63.0 t-105 -50.56 -46.37 57.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -52.05 -37.34 53.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -54.88 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -133.85 77.49 62.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.528 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.94 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -84.04 117.98 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.55 HD21 ' HB1' ' A' ' 71' ' ' ALA . 9.6 mt -83.53 -176.56 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.03 73.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 24.9 pt -103.9 -9.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.8 153.26 25.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.84 23.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 80.23 2.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.8 t -128.15 58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.55 171.32 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.49 83.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m 65.55 170.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.94 -169.36 12.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.43 169.96 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.4 p -134.61 167.36 20.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.32 -174.46 13.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -156.58 163.53 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.3 -177.9 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -125.93 160.93 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.6 160.58 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.3 169.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 115.32 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.714 HG12 ' HB3' ' A' ' 59' ' ' ALA . 28.8 m -43.45 137.3 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -166.81 126.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 57.62 164.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.48 145.64 16.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -175.67 169.58 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.43 157.13 4.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.8 154.52 25.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -101.96 140.59 36.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.36 171.97 16.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.15 87.5 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.29 -167.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -166.69 21.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.98 10.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -79.36 -59.74 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 4.0 tt0 -48.68 -52.28 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.39 -45.25 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.01 75.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 101' ' ' VAL . 24.4 mt -45.63 -35.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.08 -34.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.7 mmtt -69.13 -71.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.728 HD11 HG13 ' A' ' 89' ' ' VAL . 92.2 mt -47.97 -25.82 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.09 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -104.54 -3.59 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.14 -5.4 25.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 40' ' ' LEU . 46.8 mt -150.21 -46.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.82 59.67 4.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.747 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 179.48 6.06 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.75 -20.51 27.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.5 t -150.51 105.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.585 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -117.42 87.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 2.7 mm-40 -94.21 139.29 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.674 ' HB2' HG23 ' A' ' 70' ' ' VAL . 31.1 tp -152.34 134.42 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -144.71 172.8 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -99.36 121.15 40.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -91.86 -64.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 p 39.43 79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.34 125.95 1.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.73 54.83 0.91 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.494 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -179.32 136.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.604 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB3' HG12 ' A' ' 19' ' ' VAL . . . -73.38 70.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.494 HG21 ' CE1' ' A' ' 58' ' ' HIS . 4.2 m -119.14 157.14 51.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 175.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.4 55.9 2.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 p -103.25 126.13 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -120.42 55.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 101' ' ' VAL . 21.6 p -99.92 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.47 139.2 40.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 5.5 m-85 -152.53 163.14 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -137.61 118.98 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -119.39 148.07 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.556 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -128.54 99.64 5.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.747 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.9 p -96.42 140.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.1 t -133.81 86.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -133.54 163.67 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -83.11 -5.96 59.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -39.52 69.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 12.0 m-85 -89.02 38.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 92.9 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.3 34.24 89.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.25 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -69.88 155.33 93.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.57 -46.16 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.85 -51.53 65.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 76.9 mtt180 -40.31 -62.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.93 -42.27 84.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.641 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -46.75 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -45.12 69.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 40' ' ' LEU . 75.3 t -71.59 -50.68 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 94' ' ' SER . 2.5 m-70 -52.82 -45.25 67.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -45.45 72.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' HD13 ' A' ' 93' ' ' LEU . . . -73.03 -41.78 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.688 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.1 mm? -112.43 61.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -83.11 -32.56 26.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.64 -11.48 59.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' VAL . 40.6 mm-40 -82.3 -37.45 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.635 HD21 HD23 ' A' ' 104' ' ' LEU . 1.2 mt -99.54 4.22 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.15 39.87 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.81 -75.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 36' ' ' ILE . 4.6 t -60.0 137.13 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -112.04 -26.15 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -174.07 115.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -130.6 135.14 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.552 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -80.2 100.92 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.635 HD13 HG11 ' A' ' 89' ' ' VAL . 20.7 mt -85.14 137.6 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.525 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -108.44 96.52 6.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.18 101.45 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.69 173.07 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.71 165.27 13.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.57 8.72 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.62 -29.43 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -88.13 -44.92 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.598 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 60.5 t-105 -48.65 -35.85 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -58.89 -49.33 78.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -56.39 21.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.44 85.7 17.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.598 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -15.33 20.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.69 119.37 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.556 HD11 ' CB ' ' A' ' 71' ' ' ALA . 17.9 mt -83.06 177.65 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.85 64.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.82 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.9 m -70.18 151.77 95.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 153.48 41.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.19 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.21 120.73 37.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 mt 61.41 58.23 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 t 61.2 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -156.04 138.71 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.11 112.84 3.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -91.75 149.77 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 109.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.0 p -153.33 88.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.07 -75.68 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.3 ttt 56.32 94.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 152.71 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 m -44.08 135.83 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 144.58 25.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.43 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.957 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 57.92 77.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 20' ' ' SER . 17.6 m -128.63 -48.94 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 19' ' ' VAL . 94.5 p 40.12 89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -148.94 116.06 6.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.47 117.97 1.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -172.93 86.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.92 78.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.88 -86.94 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -136.2 -56.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -166.46 -54.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . 172.95 168.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.14 -175.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -161.7 -164.13 15.99 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.49 10.86 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -77.24 -60.93 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 7.7 tt0 -49.22 -58.01 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.0 -51.15 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.18 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.6 mt -40.34 -45.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NE ' ' CD ' ' A' ' 41' ' ' GLU . 3.7 ttp180 -74.11 -63.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.3 -36.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.6 mmtt -68.68 -71.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 89' ' ' VAL . 82.9 mt -48.05 -25.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' NE ' ' A' ' 37' ' ' ARG . 19.6 mt-10 -62.97 -42.03 99.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -104.81 -3.72 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.88 -7.35 27.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.2 mt -147.34 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.515 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.6 59.11 3.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.717 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.03 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.16 -20.36 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.689 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.2 t -150.6 104.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.548 HD12 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -115.28 87.61 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 7.6 mm-40 -92.91 140.86 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 52' ' ' ARG . 3.8 tp -149.29 131.9 15.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.719 ' N ' HD12 ' A' ' 51' ' ' LEU . 25.1 mmm-85 -149.52 174.98 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -114.26 136.84 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 55' ' ' SER . 6.1 mm-40 -105.79 -61.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 34.6 t 38.17 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.14 -61.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -37.39 -76.79 0.06 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.677 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -46.65 152.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.576 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.56 60.98 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.677 HG21 ' CE1' ' A' ' 58' ' ' HIS . 29.2 m -115.23 154.07 47.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.03 9.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.27 150.3 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.2 49.03 5.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -124.4 123.63 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -114.36 55.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.2 p -112.45 -42.87 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -94.47 112.07 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.65 ' HB3' HD13 ' A' ' 104' ' ' LEU . 6.4 m-85 -126.62 175.19 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.598 ' HG2' HG22 ' A' ' 122' ' ' ILE . 0.1 OUTLIER -152.46 114.23 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.658 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -118.09 141.93 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -123.26 99.87 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.717 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.3 p -94.41 143.41 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 87.7 t -134.74 86.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -132.22 163.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -84.62 -8.0 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 5.0 mmp_? -54.79 -37.8 66.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.9 39.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.09 80.15 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.72 30.94 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.505 ' HE1' HD11 ' A' ' 88' ' ' LEU . 7.6 mtp -91.66 162.3 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 m -66.19 159.47 71.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -24.45 12.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.71 -44.28 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.21 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -44.39 -62.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -60.95 -35.2 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.591 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.85 -45.01 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.505 HD11 ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -50.14 -52.62 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.604 HG13 HD11 ' A' ' 40' ' ' LEU . 22.4 t -65.0 -56.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 57.5 m170 -46.86 -42.77 17.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.29 -39.35 75.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.545 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -77.25 -41.53 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.3 mm? -118.68 64.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.6 OUTLIER -83.09 -32.05 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -14.39 59.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 93' ' ' LEU . 5.8 mm-40 -77.63 -30.57 52.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -105.36 7.96 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.1 62.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.03 -70.34 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.494 ' O ' ' CE1' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.5 t -81.91 151.46 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 100' ' ' PRO . 0.6 OUTLIER -126.97 -51.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.38 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.3 tp -117.19 112.65 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.597 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.4 99.89 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.658 HG23 ' CG1' ' A' ' 70' ' ' VAL . 27.1 mt -89.44 142.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.73 96.48 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.84 105.69 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.06 169.22 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.3 164.81 14.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.59 -14.6 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -103.89 -34.31 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.689 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 34.9 t-105 -63.13 -28.6 70.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 107.987 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -66.25 -50.98 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.05 -43.29 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -147.84 84.25 7.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.0 124.45 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 13.1 mt -88.14 -175.89 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.01 58.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.598 HG22 ' HG2' ' A' ' 69' ' ' ARG . 11.3 pt -90.0 -29.16 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.5 p -159.54 147.18 13.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 18.3 Cg_endo -75.01 132.79 15.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.4 Cg_endo -75.0 -178.55 4.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.801 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 57.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -177.84 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -155.77 -59.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 160.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.95 132.27 2.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -169.08 126.17 0.95 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.04 154.25 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.16 54.71 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 mtm -131.69 152.55 50.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' A' ' 83' ' ' LEU . . . -163.85 109.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.9 t -52.73 144.91 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.36 159.82 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 p -59.7 141.38 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.18 119.76 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.9 m -73.0 77.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.61 118.46 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.29 168.28 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.34 125.4 0.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 73.4 m -127.59 122.77 34.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 23' ' ' SER . . . 178.49 127.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.65 150.63 10.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t 179.6 91.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -167.21 179.7 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.73 155.75 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.86 -171.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.16 -166.78 12.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.16 9.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 76.1 t -76.35 -61.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 6.1 tt0 -47.76 -58.46 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.92 -48.72 5.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -57.88 -54.47 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 22.2 mt -39.72 -41.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG3' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -84.35 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.8 mmtt -68.24 -71.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.807 HD11 HG13 ' A' ' 89' ' ' VAL . 64.6 mt -45.69 -28.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' HD13 ' A' ' 49' ' ' LEU . 15.3 mt-10 -60.69 -41.28 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' LYS . 12.3 pt20 -104.79 -3.11 23.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.645 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.2 -33.96 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.644 ' CD1' HD22 ' A' ' 40' ' ' LEU . 39.7 mt -121.78 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 56.63 58.76 8.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.829 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -88.85 -20.65 24.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.695 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -149.83 103.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -114.34 83.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.6 mm-40 -90.35 138.72 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.72 HD13 HG23 ' A' ' 70' ' ' VAL . 24.8 tp -151.14 135.61 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.14 165.39 29.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -91.28 117.6 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.64 -36.46 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -39.63 106.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.55 102.43 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.04 -57.99 0.7 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.598 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.96 154.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.63 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.14 78.8 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.598 HG21 ' CE1' ' A' ' 58' ' ' HIS . 6.2 m -139.11 158.48 69.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.03 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -41.83 153.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.2 24.98 53.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -94.66 110.29 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.43 56.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.7 p -111.45 -10.82 14.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -118.46 129.0 55.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 16.1 m-85 -153.57 165.58 35.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.517 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -141.82 117.59 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.72 HG23 HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -116.06 147.33 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -128.75 99.58 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.829 HG23 ' HG3' ' A' ' 46' ' ' PRO . 13.2 p -94.67 136.4 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 86.8 t -130.38 86.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.49 165.16 24.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.9 p -88.02 1.95 52.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.8 -41.09 97.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 10.7 m-85 -87.12 38.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.71 75.16 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.38 27.12 8.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.0 mtt -96.16 157.11 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.44 170.9 6.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.24 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.476 HD11 ' HB1' ' A' ' 14' ' ' ALA . 4.5 tt -76.64 -54.39 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -46.26 -54.76 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 82.2 mtt180 -43.24 -65.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.77 -54.61 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -43.61 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.807 HG13 HD11 ' A' ' 40' ' ' LEU . 65.5 t -72.77 -55.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 94' ' ' SER . 3.5 m-70 -47.62 -37.03 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.59 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' HB3' HD22 ' A' ' 93' ' ' LEU . . . -74.2 -40.02 62.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.699 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.3 mm? -109.53 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.3 p -75.6 -48.18 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.54 -13.42 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -78.57 -44.31 24.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.741 HD21 HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -97.02 4.42 51.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -119.02 40.02 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.66 -82.51 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -60.37 137.4 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -114.2 -37.19 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.39 120.68 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.741 HD23 HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -138.34 130.21 28.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.547 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -82.49 100.23 9.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.55 HG23 ' CG1' ' A' ' 70' ' ' VAL . 16.8 mt -86.51 129.78 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.494 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -102.26 100.79 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.48 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -130.71 172.47 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.47 166.66 10.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.69 -28.08 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.96 -40.53 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.695 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 69.8 t-105 -52.09 -37.28 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 16.4 mtp-105 -57.14 -51.96 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -55.76 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -140.2 86.12 13.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.566 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.95 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -84.38 119.99 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.549 HD21 ' HB1' ' A' ' 71' ' ' ALA . 16.5 mt -82.68 -179.09 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.61 99.59 4.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.73 -75.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 p -126.85 144.35 49.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.67 9.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 84.4 m -139.06 86.03 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.78 -60.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 142.11 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 t -147.71 91.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.98 75.87 0.1 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 133.87 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.795 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -155.88 98.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.0 76.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.66 114.08 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.739 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.95 146.67 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.4 m -140.19 133.6 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 161.03 23.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 p -169.61 131.88 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.93 113.48 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.278 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 19' ' ' VAL . 20.6 m -119.6 71.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.53 -54.9 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 174.75 169.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.81 134.6 2.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.52 -60.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.2 139.99 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.71 164.9 11.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.65 121.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -150.82 174.87 12.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.56 175.76 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.23 -172.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.73 -167.7 27.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -18.81 18.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -77.79 -65.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.905 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -48.15 -46.26 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -60.24 -46.2 90.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.24 -38.8 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.64 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.5 -33.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtp -68.93 -71.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.852 HD11 HG13 ' A' ' 89' ' ' VAL . 51.4 mt -48.33 -24.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' LYS . 4.2 mt-10 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -104.59 -5.45 21.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -96.37 -25.83 15.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 40' ' ' LEU . 94.3 mt -129.98 -45.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.29 59.1 3.29 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.794 ' CD ' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.96 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.16 -20.49 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.785 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.8 t -149.41 107.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.794 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -120.91 104.41 9.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.31 150.7 39.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.905 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -144.44 148.82 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.617 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 tpt180 -163.91 160.23 21.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -96.19 157.68 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -127.0 -56.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.89 -57.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.54 -79.25 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.47 40.93 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.653 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -75.91 -178.08 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.42 88.38 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 58' ' ' HIS . 6.6 m -140.53 159.09 64.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -39.58 134.11 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.4 58.21 2.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.77 139.95 50.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.87 50.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 82.1 p -88.97 -77.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.414 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.2 t-80 -54.19 101.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -121.74 159.09 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -133.11 121.15 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -123.92 140.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -118.57 99.73 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.721 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -95.78 139.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 93.3 t -132.6 88.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -135.14 165.7 24.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.6 p -86.62 -5.42 59.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -55.43 -35.69 65.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -94.46 42.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 83.45 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.1 -25.48 28.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.6 166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 168.6 26.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.95 10.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.8 -51.17 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -48.59 -38.89 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.6 mtt180 -52.95 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 12.1 m170 -56.73 -31.75 64.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -66.45 -38.65 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -54.55 -48.44 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.852 HG13 HD11 ' A' ' 40' ' ' LEU . 61.3 t -70.24 -40.22 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 2.7 m-70 -61.53 -38.01 85.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -47.42 85.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.48 57.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.447 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.7 mm? -114.38 60.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.8 OUTLIER -80.98 -28.35 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -83.69 -11.49 57.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 73.7 mm-40 -79.5 -38.04 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD21 HD23 ' A' ' 104' ' ' LEU . 1.2 mt -99.47 3.5 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.63 39.26 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.46 -77.84 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.413 HG12 HD23 ' A' ' 97' ' ' LEU . 14.3 t -58.51 142.17 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -115.12 -37.46 4.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -162.99 108.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.804 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -123.34 133.22 54.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.45 101.33 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.804 HG12 HD11 ' A' ' 104' ' ' LEU . 31.8 mt -89.48 121.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.14 96.87 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.07 108.69 20.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -133.93 156.63 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.75 165.09 21.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.88 -24.46 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.58 -42.76 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.785 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 42.0 t-105 -52.11 -27.97 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.61 -46.11 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.55 -52.93 63.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -139.54 80.98 20.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -2.08 12.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -81.86 118.17 22.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.7 mt -83.05 177.47 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -137.62 91.04 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.3 mt -94.02 -53.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.15 137.82 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.02 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 125.53 9.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -178.66 4.33 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.78 147.29 22.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.305 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 125.02 24.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.72 166.46 13.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 -50.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.57 -139.69 32.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.72 164.23 27.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.767 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 t -126.06 151.87 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.36 105.55 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.36 145.22 39.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.41 -63.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 m 51.94 96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -179.27 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 m 55.72 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 t -134.66 74.59 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.86 163.02 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -143.08 150.37 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -57.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.56 -173.62 15.17 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.75 168.93 20.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.57 97.08 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.93 67.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -136.62 154.15 50.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.41 -80.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.66 71.3 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.91 -155.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.55 -170.45 22.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.25 -63.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 43.7 tt0 -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.35 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.37 80.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 101' ' ' VAL . 50.3 mt -48.5 -42.7 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -80.9 -64.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.24 -35.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.1 mmtp -69.44 -68.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.713 HD21 HG13 ' A' ' 89' ' ' VAL . 44.6 mt -51.29 -22.49 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.5 -41.85 92.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.83 -3.69 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -103.24 -2.54 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 40' ' ' LEU . 51.1 mt -150.77 -46.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.99 60.03 4.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.736 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -178.56 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.19 -20.93 22.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.594 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.1 t -150.85 105.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.69 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.69 89.76 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.84 132.65 45.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.671 HD13 HG23 ' A' ' 70' ' ' VAL . 14.7 tp -139.75 136.7 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.584 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -139.31 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -103.98 135.88 44.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -119.98 -49.26 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -47.1 146.84 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.32 65.06 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.35 75.91 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.71 ' CD2' HG21 ' A' ' 60' ' ' VAL . 2.9 p80 -174.29 65.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 52.64 41.6 31.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.71 HG21 ' CD2' ' A' ' 58' ' ' HIS . 25.7 m -132.16 154.05 81.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 168.15 25.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.18 166.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.35 37.86 25.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.6 108.03 17.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.764 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -116.91 44.76 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 81.2 p -87.35 -75.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.7 t-160 -55.72 136.81 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.5 m-85 -159.48 157.98 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.5 ttt180 -133.97 119.82 19.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG23 HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -120.02 146.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.22 100.03 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.736 HG23 ' HG3' ' A' ' 46' ' ' PRO . 14.4 p -98.74 140.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 85.0 t -130.5 88.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -134.25 160.61 37.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.1 p -82.19 -6.98 59.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -37.36 66.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 18.2 m-85 -89.67 39.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.0 104.19 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.44 45.28 96.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.66 169.29 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 167.43 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.53 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.5 tp -75.39 -54.15 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.09 -54.94 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.486 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 90.2 mtt180 -45.03 -68.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -50.43 -45.6 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -49.42 -50.12 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -54.39 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 HD21 ' A' ' 40' ' ' LEU . 69.6 t -63.6 -52.95 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 0.6 OUTLIER -48.78 -45.64 40.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.592 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -47.35 81.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -65.59 -44.73 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.534 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -113.37 60.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.77 -47.43 46.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -22.21 48.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 96' ' ' GLU . 2.4 mp0 -69.87 -58.49 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.45 -14.86 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.72 63.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.37 -96.13 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -65.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.524 HG21 HD11 ' A' ' 36' ' ' ILE . 31.9 t -69.2 133.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -37.67 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.7 129.41 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -148.11 130.43 15.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.64 96.86 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.548 ' HA ' HG12 ' A' ' 70' ' ' VAL . 8.4 mt -80.8 122.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.433 ' OE1' HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -98.17 100.66 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -100.81 111.96 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.26 174.24 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -110.33 164.74 14.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.84 8.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.48 -25.19 11.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.614 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 28.1 t-105 -54.89 -22.73 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -65.96 -49.25 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -136.76 85.38 24.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.614 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.01 1.84 7.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.82 173.04 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.433 HD23 ' OE1' ' A' ' 107' ' ' GLN . 17.4 mt -142.95 178.07 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -121.49 88.3 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 50.9 mm -93.84 -59.61 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.2 p -162.7 111.04 1.07 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 18.2 Cg_endo -75.03 152.35 40.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.2 Cg_endo -74.99 162.53 37.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.04 123.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 mp -121.25 139.03 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 67.15 128.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 149.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.2 173.4 46.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.9 t -163.83 156.82 18.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.05 167.61 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.1 -116.81 0.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 60.8 133.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.21 105.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.5 p -85.31 -176.59 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -122.39 170.71 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -178.05 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -46.96 144.56 2.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.72 154.74 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -99.58 161.83 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.3 157.57 20.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.25 -174.18 31.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.67 167.55 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.14 89.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.98 149.07 4.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -87.51 100.76 13.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -170.44 -61.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.68 72.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.709 ' HB1' ' OE1' ' A' ' 33' ' ' GLU . . . -177.04 -169.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.0 -172.16 23.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 111.056 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -72.35 -58.0 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.758 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.2 tm-20 -50.36 -43.47 54.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.58 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.64 74.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.8 mt -48.43 -53.56 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.6 ttt180 -66.85 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' CB ' HD21 ' A' ' 93' ' ' LEU . 5.1 mmtt -69.37 -70.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 HG13 ' A' ' 89' ' ' VAL . 96.9 mt -48.36 -23.94 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 37' ' ' ARG . 18.2 mt-10 -64.63 -42.56 95.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -105.14 -2.82 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.19 -17.79 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' CD1' HD22 ' A' ' 40' ' ' LEU . 77.1 mt -135.0 -46.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 63.52 57.69 1.96 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.687 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.08 179.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . 2.6 mm-40 -96.35 -18.71 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.715 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 45.3 t -146.87 107.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -119.33 109.74 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' ALA . 12.1 mm-40 -125.61 132.33 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.4 tt -131.44 146.45 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.655 ' HD2' HG21 ' A' ' 122' ' ' ILE . 0.0 OUTLIER -150.7 138.61 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -86.21 99.93 11.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.18 -70.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.534 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 5.2 t 42.79 91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.88 130.54 1.29 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.14 -57.73 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -45.1 160.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 109.598 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.74 58.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 58' ' ' HIS . 24.3 m -107.61 157.68 35.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.03 140.12 25.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -40.3 144.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.74 52.16 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 142.76 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 65' ' ' GLU . 7.6 mp0 -123.38 53.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 58.5 p -95.47 -72.17 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -57.12 113.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.588 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.862 ' HB3' HD13 ' A' ' 104' ' ' LEU . 1.5 m-85 -132.05 171.55 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' NH2' ' CB ' ' A' ' 105' ' ' ALA . 1.9 ttm-85 -150.48 110.22 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.676 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -115.38 154.81 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -131.79 99.6 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.687 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -96.63 139.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 84.2 t -132.56 100.98 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -151.11 168.8 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.4 p -82.14 -3.94 55.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.07 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 72' ' ' VAL . 10.4 m-85 -100.79 46.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 94.1 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.94 37.04 91.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.508 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.6 mtm -100.59 160.88 13.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.0 157.64 10.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -28.28 9.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.61 -34.42 23.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -66.78 -39.75 87.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -51.98 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.0 -41.93 71.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -51.41 -55.35 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.98 -41.69 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.744 HG11 HD13 ' A' ' 106' ' ' ILE . 53.2 t -74.47 -58.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 94' ' ' SER . 0.3 OUTLIER -46.82 -35.64 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -45.43 93.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.64 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -72.95 -37.63 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.897 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.6 mm? -118.59 60.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.3 t -71.97 -51.86 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -55.43 -25.89 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.897 ' HG3' HD12 ' A' ' 93' ' ' LEU . 6.6 mm-40 -70.49 -53.56 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 97' ' ' LEU . 1.5 mm? -73.7 -15.52 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.99 72.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.6 -93.07 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 t -79.3 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -106.21 -42.63 5.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.79 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.862 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -115.61 118.64 33.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.668 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.31 99.24 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.744 HD13 HG11 ' A' ' 89' ' ' VAL . 26.2 mt -92.15 140.8 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' CE ' ' A' ' 109' ' ' LYS . 22.4 tt0 -116.62 96.19 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.496 ' HB1' ' CG ' ' A' ' 77' ' ' PHE . . . -89.79 109.32 20.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' CE ' ' CG ' ' A' ' 107' ' ' GLN . 6.3 mttt -126.0 170.61 11.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 111' ' ' PRO . 68.2 p -103.7 163.28 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 1.71 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -29.94 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' GLU . 4.5 mt-30 -85.15 -43.75 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.715 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 71.2 t-105 -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -58.49 -47.47 83.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 113' ' ' GLN . 4.4 mm-40 -50.81 -58.68 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -141.18 85.17 12.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.04 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 127.35 33.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.579 HD21 ' CH2' ' A' ' 114' ' ' TRP . 8.7 mt -83.07 177.81 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -141.46 77.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.655 HG21 ' HD2' ' A' ' 52' ' ' ARG . 80.6 mt -88.9 -48.75 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.6 p -91.06 148.96 39.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.81 19.59 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 95.2 m 60.21 68.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.93 137.25 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -174.89 95.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.74 89.48 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.86 152.2 40.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -42.72 132.72 3.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.17 -72.91 0.72 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.1 tpp 57.78 107.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.6 71.23 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 15' ' ' THR . 14.9 t -102.13 109.75 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.72 147.77 45.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.59 81.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 t -104.01 -69.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 19' ' ' VAL . 67.4 t 56.89 77.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -159.14 144.64 16.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 160.89 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.19 84.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.046 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -148.71 146.37 28.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.67 -62.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.22 -78.3 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.53 146.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.56 165.61 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.37 165.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -177.8 -175.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.77 167.33 34.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.108 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -23.87 13.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' OE1' ' A' ' 96' ' ' GLU . 71.4 t -81.78 -63.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 20.6 tt0 -45.56 -48.52 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.54 -51.8 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.37 68.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 101' ' ' VAL . 44.5 mt -50.7 -36.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -86.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -39.75 -34.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.6 mmtt -68.66 -71.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.806 ' HG ' HD21 ' A' ' 93' ' ' LEU . 86.8 mt -47.73 -25.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.6 mt-10 -62.51 -42.02 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -104.97 -3.47 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -95.73 -35.93 11.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -119.5 -42.66 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.44 58.47 4.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.855 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.03 -177.75 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.04 -20.74 19.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.789 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 13.8 t -147.5 100.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.716 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -112.58 92.32 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.3 mm-40 -97.54 138.42 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.3 tp -150.04 132.54 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.706 ' N ' HD12 ' A' ' 51' ' ' LEU . 83.5 mmt-85 -150.22 172.02 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -98.1 136.8 37.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -104.54 -60.87 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 m 39.6 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.58 -127.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.33 14.76 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.546 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -51.94 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.587 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.47 79.05 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 ' CE1' ' A' ' 58' ' ' HIS . 4.5 m -131.65 155.09 81.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.39 31.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.13 155.24 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.44 53.16 42.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -90.89 106.33 18.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -110.62 57.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 101' ' ' VAL . 41.3 p -105.07 -57.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.07 110.1 12.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -126.18 149.81 48.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -123.06 118.91 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -119.32 150.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -132.25 99.78 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.855 HG23 ' HG3' ' A' ' 46' ' ' PRO . 14.5 p -95.4 136.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 94.1 t -129.74 90.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.16 159.95 40.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 p -81.25 -9.5 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.075 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.68 -42.82 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.0 m-85 -88.03 41.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.62 74.41 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.13 -26.47 20.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 88' ' ' LEU . 79.6 mtp -40.54 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 156.61 74.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.13 13.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -83.89 -44.64 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.31 -47.6 83.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 59.2 mtt180 -38.86 -57.49 1.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -56.49 -49.46 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -45.7 -49.04 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.425 HD13 ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.69 -46.95 70.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 85' ' ' ARG . 2.5 t -68.4 -51.34 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 3.3 m-70 -49.97 -47.26 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -47.4 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.42 80.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.806 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.5 mm? -112.29 60.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.5 t -80.55 -41.58 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.27 -16.44 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' OE1' HG13 ' A' ' 32' ' ' VAL . 34.8 mm-40 -75.66 -45.5 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.816 HD21 HD23 ' A' ' 104' ' ' LEU . 1.5 mt -93.92 1.61 56.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -117.28 42.08 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.17 -80.64 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 36' ' ' ILE . 3.9 t -61.79 144.1 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -114.5 -46.96 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.92 114.78 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.816 HD23 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -129.68 126.57 38.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.11 105.46 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.754 HG12 HD11 ' A' ' 104' ' ' LEU . 8.4 mt -87.86 134.48 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.7 96.65 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 107.81 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -132.91 159.2 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.41 165.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.59 8.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.6 -20.3 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -97.36 -41.13 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.789 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 26.1 t-105 -55.75 -31.14 62.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.56 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.46 -54.63 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -137.59 85.14 21.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.496 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.02 -16.84 19.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.91 123.97 20.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.3 mt -92.62 -177.49 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -125.07 85.6 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.79 -66.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -61.21 138.12 94.42 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.47 17.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 89.4 m 64.88 145.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -66.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m 60.9 87.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 112.68 25.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.79 -157.0 10.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 p -173.59 -58.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -143.73 156.5 44.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.11 -153.78 9.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.2 mtt -135.01 87.98 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.04 92.18 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 t -143.77 160.33 40.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.78 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -156.19 91.98 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.5 t -141.81 -60.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.337 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 m -109.67 166.97 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 p -162.96 145.93 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -131.99 -54.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.87 -107.63 2.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.62 169.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 57.68 172.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.04 -74.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.58 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.14 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.88 91.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.61 -172.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.74 -158.63 21.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.59 9.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.94 -65.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.937 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.97 -46.49 11.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -44.53 -63.82 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.81 -49.14 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.13 -58.16 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.14 -37.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.7 mmtt -69.14 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD11 HG13 ' A' ' 89' ' ' VAL . 76.7 mt -47.9 -24.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.4 mt-10 -62.34 -44.48 96.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -104.6 -3.29 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -99.33 -8.15 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -145.14 -47.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.92 59.19 2.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.027 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.743 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.18 -23.06 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.586 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -145.75 106.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.27 106.45 13.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.2 mm-40 -120.3 124.56 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.937 HD13 ' HG2' ' A' ' 33' ' ' GLU . 2.0 tt -125.58 142.86 51.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.639 ' N ' HD23 ' A' ' 51' ' ' LEU . 20.5 mmm-85 -146.74 159.55 43.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -89.61 115.26 26.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG2' ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -79.92 -58.1 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 11.8 p -38.95 125.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.78 53.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.597 ' C ' ' CD2' ' A' ' 58' ' ' HIS . . . 152.07 -121.7 1.23 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.65 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER 45.62 -168.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.634 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.95 48.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 57' ' ' GLY . 15.6 m -118.06 155.2 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 135.97 14.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.83 52.14 3.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.96 143.21 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.44 62.25 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 p -104.62 -46.11 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -90.81 114.57 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.0 m-85 -126.53 168.44 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.655 ' HD2' HD13 ' A' ' 122' ' ' ILE . 0.0 OUTLIER -148.54 124.88 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.605 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.5 p -129.19 153.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.532 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -130.05 99.62 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.81 135.81 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.474 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.6 t -126.74 91.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.09 165.45 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.34 -12.4 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -40.56 49.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.79 41.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.7 82.6 8.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -32.3 7.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.442 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 4.6 mmm -38.95 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.7 167.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -73.82 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -39.99 -40.13 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 60.2 mtt180 -52.7 -68.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.81 -47.79 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.625 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -46.49 -51.05 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -40.61 60.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.854 HG11 HD13 ' A' ' 106' ' ' ILE . 85.3 t -74.57 -52.63 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.467 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 1.8 m80 -51.88 -47.89 64.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -45.53 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -63.67 -42.11 98.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.529 HD23 HD21 ' A' ' 40' ' ' LEU . 3.3 mm? -118.63 60.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.5 OUTLIER -68.44 -49.1 62.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -38.19 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.02 -61.21 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 90' ' ' HIS . 1.8 mm? -61.15 -25.52 67.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.68 64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.94 -101.76 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.804 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 t -76.11 125.17 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.8 -44.0 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.75 97.49 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -106.19 111.45 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.599 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.92 95.78 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.854 HD13 HG11 ' A' ' 89' ' ' VAL . 13.0 mt -86.32 145.2 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.21 96.9 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.59 111.84 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -132.08 -178.88 5.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.91 164.47 19.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.0 -20.13 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -95.98 -42.63 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.586 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 52.1 t-105 -53.14 -30.45 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -64.52 -52.54 57.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -52.37 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -140.98 83.8 13.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -75.03 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.43 130.01 38.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 71' ' ' ALA . 49.6 mt -96.73 178.89 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.61 84.04 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.655 HD13 ' HD2' ' A' ' 69' ' ' ARG . 5.9 mm -95.34 40.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 p 60.61 113.05 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.79 40.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.67 166.38 23.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -46.75 153.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 143.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.93 153.16 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.84 -116.66 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m 48.82 80.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.24 -58.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.17 -169.07 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.0 ttp -160.33 -53.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.13 97.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -48.28 126.33 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -125.05 97.0 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -153.2 165.19 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.22 71.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -51.17 174.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.08 137.57 53.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -78.52 -58.76 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.95 91.42 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.93 -66.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.32 152.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.5 -137.75 5.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.79 76.24 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.88 159.57 3.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -162.06 145.58 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.72 -173.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.72 -160.84 25.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -28.66 8.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.81 -58.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.836 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -50.31 -49.67 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -45.63 -49.79 13.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.73 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -50.06 -56.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -62.44 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.65 -37.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' CB ' HD21 ' A' ' 93' ' ' LEU . 5.2 mmtt -67.43 -71.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.664 HD11 HG13 ' A' ' 89' ' ' VAL . 66.3 mt -47.15 -28.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -58.22 -43.72 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -104.72 -3.7 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.09 -4.0 28.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -151.62 -46.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.47 59.56 3.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.738 ' CD ' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 179.01 6.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -89.3 -21.38 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.616 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 39.4 t -148.35 108.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.738 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -121.16 101.43 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.24 148.56 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.836 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -146.37 149.36 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.72 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -149.83 140.01 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -88.8 105.21 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.15 -61.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 p 64.4 163.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA2' HG23 ' A' ' 60' ' ' VAL . . . 52.5 87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.85 -52.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.781 ' NE2' HG11 ' A' ' 60' ' ' VAL . 4.1 p80 -93.38 69.89 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.595 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' HIS . . . 39.09 61.13 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.781 HG11 ' NE2' ' A' ' 58' ' ' HIS . 1.3 m -131.1 156.76 79.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.82 42.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.92 68.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.1 40.81 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.76 142.39 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 110.017 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -107.17 48.38 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.7 p -95.08 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.22 119.46 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.643 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.2 m-85 -130.86 178.71 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 105.29 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.684 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -111.07 147.44 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.24 100.33 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.0 p -95.54 142.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.4 t -134.89 93.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -141.7 167.33 22.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 p -85.97 -3.88 59.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.19 -39.36 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.2 m-85 -93.42 43.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.78 76.68 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.35 -30.79 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.444 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 3.4 mmm -43.51 150.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.52 167.39 1.78 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.48 11.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.75 -61.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -38.84 -41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 34.3 mtt180 -47.85 -64.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -51.29 -33.08 27.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' GLU . 10.3 ttt-85 -64.51 -43.16 94.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -50.15 -46.91 54.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 40' ' ' LEU . 76.5 t -71.48 -50.57 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.609 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -53.54 -31.04 44.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.555 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -66.25 -42.64 88.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.771 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -78.47 -37.36 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 92' ' ' ALA . 2.1 mm? -119.76 61.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER -73.55 -48.73 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.23 -15.53 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.665 ' HG2' HD12 ' A' ' 93' ' ' LEU . 11.4 mp0 -77.3 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.609 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -64.76 -21.48 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.72 57.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.77 -99.87 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.05 125.75 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -104.9 -42.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.33 100.98 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -114.33 123.63 49.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.698 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -79.33 96.68 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.642 HG23 ' CG1' ' A' ' 70' ' ' VAL . 12.6 mt -87.93 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.91 96.32 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.87 114.94 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -133.81 -178.43 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -116.12 164.25 18.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.6 -30.57 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -86.2 -41.37 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.645 ' CZ3' HD21 ' A' ' 120' ' ' LEU . 71.5 t-105 -49.21 -37.53 23.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -53.07 -55.07 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.92 -56.95 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -134.01 85.77 39.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.634 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 2.87 6.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.81 176.81 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.645 HD21 ' CZ3' ' A' ' 114' ' ' TRP . 11.4 mt -136.08 -179.62 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -131.26 78.46 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.539 HG21 HH11 ' A' ' 52' ' ' ARG . 44.0 mm -78.13 -66.62 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 124' ' ' PRO . 0.5 OUTLIER -100.5 138.9 20.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 123' ' ' SER . 18.2 Cg_endo -75.03 167.91 25.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.01 22.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -65.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.37 76.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.8 p -137.88 110.7 7.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 142.29 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.78 61.73 0.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.22 160.16 39.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m 63.32 131.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.44 129.74 1.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.26 158.2 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.01 121.12 25.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' THR . 8.9 t -132.9 114.98 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 133.82 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.04 135.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -174.24 163.36 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.7 p -171.58 106.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.44 152.62 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.48 111.28 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.52 145.62 14.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -140.61 110.09 6.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 57.95 165.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.79 92.28 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -178.81 87.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.993 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -175.09 -179.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.43 90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.654 ' HB1' ' OE1' ' A' ' 33' ' ' GLU . . . -54.52 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.61 -170.47 15.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -23.23 13.93 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 96' ' ' GLU . 72.6 t -74.04 -69.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.954 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -42.41 -55.63 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -40.03 -55.67 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.09 74.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -48.42 -67.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG3' HD22 ' A' ' 49' ' ' LEU . 8.5 ttp180 -55.09 -57.25 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.71 -40.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.65 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -67.66 -71.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.882 HD12 HD12 ' A' ' 44' ' ' LEU . 4.0 mm? -44.02 -33.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -56.21 -42.81 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' LYS . 22.7 pt20 -104.17 -3.45 24.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.72 -9.39 20.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.882 HD12 HD12 ' A' ' 40' ' ' LEU . 99.0 mt -144.35 -46.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.26 60.36 3.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.712 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.56 -22.53 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.708 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.4 t -147.08 109.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.48 105.23 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 6.0 mm-40 -118.88 130.33 55.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.954 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.7 tt -131.08 144.39 51.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.698 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -154.85 149.84 26.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.64 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 mm-40 -81.0 -67.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.482 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 29.5 t 37.87 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.93 -51.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.86 94.85 0.8 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.764 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.3 OUTLIER 179.15 143.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.587 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.59 73.87 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 ' CE1' ' A' ' 58' ' ' HIS . 27.5 m -131.84 156.82 79.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.35 31.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.39 141.0 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 59.27 4.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 147.52 49.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -122.2 47.04 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.4 p -86.1 -33.41 20.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.14 122.85 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.542 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.696 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.2 m-85 -136.05 171.96 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.757 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -153.65 116.93 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.779 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -121.15 139.03 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -115.47 99.24 7.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.0 p -93.38 140.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.3 t -133.38 87.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -134.58 165.74 24.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -84.38 -7.45 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -39.22 70.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE2' HG13 ' A' ' 72' ' ' VAL . 9.9 m-85 -88.1 38.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.39 106.7 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.26 44.29 84.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p -90.3 167.86 15.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 84' ' ' GLN . 14.4 mt -68.66 -67.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.5 mt-30 -36.61 -53.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 84.8 mtt180 -44.05 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -56.11 -46.65 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -49.05 64.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.612 ' HA ' HD11 ' A' ' 40' ' ' LEU . 94.7 t -70.03 -50.33 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.543 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 3.3 m80 -52.07 -38.93 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -45.99 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.414 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -58.14 -49.1 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 39' ' ' LYS . 3.6 mm? -118.85 62.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.5 t -68.19 -36.22 79.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.78 -37.39 87.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.633 ' OE1' HG13 ' A' ' 32' ' ' VAL . 31.1 mm-40 -55.38 -64.02 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 90' ' ' HIS . 2.6 mm? -53.66 -22.39 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.72 67.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.81 -100.83 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 t -83.63 129.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.57 -40.91 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.569 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.57 101.43 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -115.21 113.76 24.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.757 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -78.84 103.68 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.779 HG23 ' CG1' ' A' ' 70' ' ' VAL . 12.8 mt -92.48 142.22 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.613 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -112.02 103.13 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.16 107.06 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -133.92 155.63 49.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.6 p -90.7 163.88 28.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.49 8.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.92 -22.27 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -94.18 -40.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.708 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 43.5 t-105 -53.76 -34.2 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -62.41 -48.03 81.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -46.86 83.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -146.22 83.62 8.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.497 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.07 -9.62 20.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -72.18 118.96 15.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.516 HD21 ' HB1' ' A' ' 71' ' ' ALA . 18.7 mt -83.52 -176.12 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.21 68.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 pt -94.73 -41.62 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.7 p -151.59 148.93 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.3 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.6 t -135.89 85.59 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tp 62.84 129.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -173.99 149.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.32 116.5 32.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.43 89.02 0.1 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -56.71 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -76.98 136.07 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.94 166.63 37.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.35 163.4 34.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.83 138.82 37.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -127.31 101.39 6.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.85 61.47 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -59.68 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.49 161.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.262 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.13 136.41 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.06 -58.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -118.25 121.96 41.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.13 -123.4 5.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.95 119.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.56 -57.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.09 139.45 9.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 p -140.3 106.76 5.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.36 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.59 168.84 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.12 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.92 -170.37 12.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.45 14.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 71.1 t -76.83 -62.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 5.6 tt0 -52.62 -59.31 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.02 -43.16 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' C ' ' N ' ' A' ' 37' ' ' ARG . . . -63.36 -56.91 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' ALA . 44.5 mt -39.5 -32.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.81 -68.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.68 -30.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.3 mmtm -68.73 -69.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.698 HD11 HG13 ' A' ' 89' ' ' VAL . 93.8 mt -49.17 -25.37 2.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' HG3' HD13 ' A' ' 49' ' ' LEU . 16.7 mt-10 -62.7 -42.02 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -104.6 -3.58 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -102.99 -9.7 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.572 ' CD1' HD22 ' A' ' 40' ' ' LEU . 57.2 mt -145.67 -46.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.68 58.79 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.758 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 -178.98 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.22 -20.7 23.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.65 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 19.8 t -149.97 107.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -115.79 89.76 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 6.7 mm-40 -100.32 127.6 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 52' ' ' ARG . 8.0 tp -140.5 136.3 32.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.733 ' N ' HD12 ' A' ' 51' ' ' LEU . 41.9 mmt180 -145.23 175.7 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -105.83 142.12 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE2' ' CG2' ' A' ' 122' ' ' ILE . 4.6 mm-40 -114.58 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 94.5 p 38.77 83.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.09 -98.61 1.02 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . -170.29 34.48 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.67 ' NE2' HG11 ' A' ' 60' ' ' VAL . 1.8 p80 -66.4 75.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 47.05 40.57 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG11 ' NE2' ' A' ' 58' ' ' HIS . 3.7 m -120.51 154.19 56.66 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.15 28.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.77 135.44 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.64 55.81 5.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.81 144.19 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -119.58 78.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.411 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 33.8 p -124.71 -58.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.89 98.03 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.611 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.4 m-85 -115.13 163.47 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.9 121.35 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -121.5 151.99 24.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -134.21 100.05 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 46' ' ' PRO . 13.6 p -99.16 141.82 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 97.5 t -131.71 88.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.433 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -134.98 162.74 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 p -82.3 -9.22 59.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.9 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 6.6 m-85 -93.22 43.25 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.05 88.2 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.78 29.41 42.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.35 158.51 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 169.92 4.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.14 12.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.24 -56.73 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -43.6 -47.8 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 36.1 mtt-85 -49.57 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 12.0 m170 -56.43 -32.38 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -66.3 -38.21 87.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' GLN . 0.5 OUTLIER -57.41 -54.2 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.698 HG13 HD11 ' A' ' 40' ' ' LEU . 71.6 t -65.91 -40.8 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 2.1 m-70 -61.43 -39.35 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -43.91 92.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -73.45 -41.6 63.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -120.53 63.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.5 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -77.89 -50.26 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 98' ' ' ALA . 2.5 mt-10 -59.02 -22.03 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.3 mp0 -64.93 -40.03 94.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.93 9.33 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 95' ' ' GLU . . . -119.45 50.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.3 -73.48 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 96' ' ' GLU . 3.2 t -65.96 140.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.15 -33.59 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -169.04 111.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -127.49 131.39 50.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.436 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -72.98 96.39 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.55 ' HA ' HG12 ' A' ' 70' ' ' VAL . 23.0 mt -81.33 126.44 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.36 96.73 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -96.93 109.53 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.48 177.46 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.64 165.09 15.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.1 8.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -21.3 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -97.48 -40.69 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.65 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 29.6 t-105 -55.24 -27.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -63.78 -54.71 30.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.75 -56.02 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -138.73 87.78 14.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.6 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -11.95 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -72.37 119.1 16.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 71' ' ' ALA . 13.2 mt -78.52 -171.21 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -144.25 87.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.494 ' CG2' ' OE2' ' A' ' 54' ' ' GLU . 39.1 mt -101.88 -57.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 p -87.9 151.83 50.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.74 6.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.6 5.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -137.26 113.59 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -165.37 168.54 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.17 161.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -160.1 -58.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.85 -163.14 31.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.7 p -131.34 170.35 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.71 168.63 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.01 153.56 8.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.3 ttm -172.01 -55.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.67 88.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 t -112.45 161.63 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.01 -56.46 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 p 57.64 167.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -125.75 162.55 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.3 t -108.26 124.18 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -44.48 157.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -56.63 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.99 -109.76 0.6 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.5 t -168.98 76.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.2 111.24 21.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.85 -92.69 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.663 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -101.72 -1.95 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 166.07 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.1 168.57 19.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.89 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -148.63 -167.38 13.67 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -26.55 10.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.65 HG13 ' OE2' ' A' ' 96' ' ' GLU . 82.9 t -76.88 -63.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 3.7 tt0 -46.12 -57.2 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.09 -49.01 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -52.56 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 mt -41.99 -59.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.4 ttt180 -64.18 -62.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -36.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.633 ' CB ' HD21 ' A' ' 93' ' ' LEU . 3.2 mmtt -68.92 -71.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD11 HG13 ' A' ' 89' ' ' VAL . 50.0 mt -47.09 -25.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 39' ' ' LYS . 10.8 mt-10 -64.41 -40.96 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -104.75 -4.86 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.56 -3.09 29.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -151.04 -46.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 58.67 59.68 5.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.814 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.93 -179.18 4.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -87.42 -21.17 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.524 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.4 t -149.79 106.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -119.63 99.04 6.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.7 mm-40 -107.31 139.6 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.615 HD13 HG23 ' A' ' 70' ' ' VAL . 30.4 tp -152.15 135.87 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' NH1' ' OE2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -155.88 158.98 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -96.03 132.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -111.49 -63.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 t 56.76 163.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.41 139.26 10.69 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . . . 116.23 -73.52 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -53.18 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.553 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.71 70.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 58' ' ' HIS . 16.7 m -121.31 151.53 56.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.85 12.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.04 169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.07 49.53 13.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.1 p -108.18 127.28 53.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 42.31 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.532 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 2.7 p -82.43 -34.13 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CG ' ' CE1' ' A' ' 58' ' ' HIS . 0.2 OUTLIER -93.44 126.27 38.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.631 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' HB3' HD13 ' A' ' 104' ' ' LEU . 7.2 m-85 -139.09 179.02 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.27 111.19 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.84 146.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.09 99.29 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 46' ' ' PRO . 11.0 p -96.07 139.91 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.489 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 98.8 t -133.34 88.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -136.37 166.6 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 p -83.23 -10.49 58.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -48.45 -43.94 34.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -92.11 46.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.51 81.1 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.79 28.14 36.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.48 171.94 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 166.22 41.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.931 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -26.99 10.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.48 -57.2 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.523 ' O ' HD23 ' A' ' 88' ' ' LEU . 39.1 mt-30 -42.77 -42.32 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 47.4 mtt180 -54.22 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -54.62 -32.28 58.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.584 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -66.72 -41.7 87.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -51.33 -53.71 33.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.673 HG13 HD11 ' A' ' 40' ' ' LEU . 62.6 t -65.98 -51.01 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.471 ' O ' ' CA ' ' A' ' 94' ' ' SER . 1.3 m80 -51.47 -36.8 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -63.58 -45.23 91.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.722 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -68.22 -43.77 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.722 HD22 ' C ' ' A' ' 92' ' ' ALA . 2.6 mm? -118.17 61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 26.5 t -76.87 -27.82 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -14.47 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.65 ' OE2' HG13 ' A' ' 32' ' ' VAL . 8.1 mm-40 -81.19 -64.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.428 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.8 mm? -55.67 -20.93 15.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.42 66.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.22 -100.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 t -70.17 124.28 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.532 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -110.29 -16.87 13.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -163.21 121.57 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.3 tp -144.18 118.29 9.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.422 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -76.26 95.97 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' ' 70' ' ' VAL . 10.8 mt -80.01 137.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.478 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -111.49 96.18 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.37 109.25 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -131.75 -178.23 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 165.52 18.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.04 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.01 -17.6 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -99.79 -35.93 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.524 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 51.8 t-105 -59.57 -29.44 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -65.51 -40.4 92.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.87 -50.72 72.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -144.43 85.96 8.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.05 0.55 8.79 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -81.01 119.99 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.497 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 27.5 mt -88.58 -175.74 5.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.93 74.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 49.9 mm -80.62 -61.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.71 123.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 77.47 3.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.563 1.823 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 26.5 p 179.52 122.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.33 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.1 -62.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 t 56.35 97.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.9 p -138.52 100.45 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.77 -87.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p 51.86 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.15 88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.7 143.99 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.691 ' HB3' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER -138.59 168.14 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.977 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.22 -64.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 13' ' ' MET . 67.0 p 46.2 -166.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.7 157.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.37 112.95 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.35 165.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t 62.94 139.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.73 171.21 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -57.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.91 -85.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t 61.06 110.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.51 -69.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.04 95.48 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.23 85.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.33 179.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.92 65.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HB1' ' CD ' ' A' ' 33' ' ' GLU . . . 56.54 -168.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.82 -167.78 24.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.01 10.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 36' ' ' ILE . 62.9 t -73.04 -63.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.963 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -46.91 -36.69 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.25 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -58.85 -42.73 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.727 HD11 HG12 ' A' ' 32' ' ' VAL . 78.7 mt -54.04 -48.21 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.36 -62.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.11 -36.05 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 35' ' ' ALA . 8.6 mmtm -69.64 -69.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.735 ' CD2' HG13 ' A' ' 89' ' ' VAL . 59.7 mt -48.75 -23.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 7.8 mt-10 -64.63 -42.81 95.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.69 -3.48 23.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.69 -10.38 23.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.6 mt -143.1 -47.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.518 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 13.2 p 63.71 58.27 1.88 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.761 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 -23.4 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.61 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.8 t -145.45 108.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.91 101.57 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 6.1 mm-40 -115.6 127.31 55.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.963 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.6 tt -125.99 142.33 51.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.618 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -157.7 155.99 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 46.1 t-20 -95.4 143.26 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 2.5 mm-40 -112.26 -55.3 2.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 p 47.09 83.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.16 -128.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . . . -123.83 9.34 8.58 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER -47.42 173.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 90.16 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.07 155.08 72.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.51 26.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.93 133.33 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.06 52.26 4.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.7 142.73 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -124.31 59.41 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 p -102.69 -60.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 100.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' HB2' ' CD1' ' A' ' 104' ' ' LEU . 2.0 m-85 -119.27 177.46 4.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.25 109.44 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.824 ' CG1' HG23 ' A' ' 106' ' ' ILE . 2.5 p -111.72 151.2 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.563 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -130.16 99.62 5.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.761 HG23 ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.94 138.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.6 t -132.7 89.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -136.04 166.62 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.45 -3.22 58.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -38.83 85.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 72' ' ' VAL . 6.8 m-85 -87.59 38.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -85.26 89.08 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.16 -38.32 3.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.498 ' CE ' ' CD1' ' A' ' 88' ' ' LEU . 5.8 mmm -37.4 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.81 158.86 21.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.29 11.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.29 -49.33 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -53.71 -38.83 64.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 44.8 mtt180 -48.69 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -53.02 -41.43 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD1' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -60.91 -39.34 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.735 HG13 ' CD2' ' A' ' 40' ' ' LEU . 6.3 t -76.86 -39.43 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 94' ' ' SER . 11.1 m170 -64.18 -42.94 96.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.28 -48.27 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.453 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -58.29 -48.5 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -114.63 60.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' HIS . 37.3 t -74.99 -17.94 60.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.88 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.96 -58.03 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.586 HD13 HG12 ' A' ' 101' ' ' VAL . 2.3 mm? -57.96 -29.52 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.43 66.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.15 -102.17 0.17 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -74.95 -46.45 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.586 HG12 HD13 ' A' ' 97' ' ' LEU . 71.1 t -86.6 130.56 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -111.84 -50.03 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.94 107.43 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -118.88 121.03 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.633 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -85.43 95.44 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.824 HG23 ' CG1' ' A' ' 70' ' ' VAL . 10.8 mt -87.2 145.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.38 96.5 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.74 109.25 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -134.1 163.18 30.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -98.79 164.61 16.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.39 8.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.25 -20.41 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -95.83 -41.38 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.61 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 53.9 t-105 -54.11 -34.4 60.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -60.36 -50.38 73.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -57.46 12.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -135.03 82.64 42.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.95 -7.8 19.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.93 121.59 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.563 HD11 ' CB ' ' A' ' 71' ' ' ALA . 21.4 mt -86.3 -175.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.21 84.6 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.8 -69.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 94.9 p -144.54 143.12 20.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.08 43.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 57.88 81.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 108.283 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.3 mt -122.4 -67.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.1 m -163.19 170.27 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -148.95 166.23 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.63 -175.73 22.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.74 164.55 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.7 p -175.1 169.34 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.4 140.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -130.77 -54.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.68 96.96 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -106.19 127.83 53.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.43 -60.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m 45.06 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 111.39 24.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 108.34 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.4 p -170.52 156.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -133.19 127.84 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.96 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -108.58 172.85 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -126.05 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.12 138.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.12 169.66 17.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 155.83 31.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -159.91 118.83 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.6 -59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.01 171.41 8.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.97 -169.5 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.07 15.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t -80.65 -63.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' HD23 ' A' ' 51' ' ' LEU . 22.4 tt0 -46.82 -53.95 10.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.6 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.58 79.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.3 mt -49.42 -40.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -62.59 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.4 -36.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mmtt -69.03 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.669 HD21 HG13 ' A' ' 89' ' ' VAL . 96.8 mt -49.08 -23.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' LYS . 8.9 mt-10 -65.27 -41.37 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.14 -3.59 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -102.26 -0.14 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -151.56 -46.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.83 57.99 2.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.699 ' CG ' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 173.06 15.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.807 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.12 -18.7 26.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.879 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.2 t -150.09 104.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.76 92.25 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.0 mm-40 -97.86 133.65 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 70' ' ' VAL . 19.2 tp -144.45 138.74 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.28 153.79 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.09 121.64 34.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.56 -64.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p 39.81 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.77 132.25 1.36 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 131.73 -75.16 0.43 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -173.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.636 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -129.12 152.43 79.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.16 33.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.14 163.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 39.84 56.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 p -121.23 132.52 54.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -135.14 39.3 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 6.9 p -76.66 -51.7 11.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.13 118.04 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.628 ' HB3' HD13 ' A' ' 104' ' ' LEU . 3.8 m-85 -133.13 175.06 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -151.25 116.74 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.747 ' CG1' HG23 ' A' ' 106' ' ' ILE . 1.2 p -121.0 131.25 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -112.02 99.42 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.67 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.8 p -93.26 141.29 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.3 t -133.61 96.34 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.473 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -147.61 167.45 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -80.12 -16.21 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.62 -36.75 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -97.59 43.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -85.28 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.72 20.09 75.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.505 ' CE ' HD13 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -83.0 161.16 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.39 164.98 9.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.45 2.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.66 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -43.39 -44.63 5.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -47.95 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -58.23 -33.42 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.25 -55.5 33.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.505 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.99 -38.86 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.669 HG13 HD21 ' A' ' 40' ' ' LEU . 71.2 t -79.21 -57.16 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' O ' ' CA ' ' A' ' 94' ' ' SER . 2.1 m-70 -48.53 -28.27 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -46.14 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.91 71.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.26 61.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -80.9 -23.59 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.25 -14.2 47.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -79.43 -35.22 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 101' ' ' VAL . 0.7 OUTLIER -101.85 5.78 41.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.4 36.77 4.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.412 HG11 ' CB ' ' A' ' 104' ' ' LEU . 8.1 t -57.15 130.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.535 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -112.7 -15.39 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.23 99.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -115.47 124.32 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.637 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -84.25 100.3 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.747 HG23 ' CG1' ' A' ' 70' ' ' VAL . 24.8 mt -89.42 143.73 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.72 97.26 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.49 111.98 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.06 -177.07 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -119.08 164.0 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.85 -14.8 14.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.92 -35.87 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.879 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 52.8 t-105 -60.07 -29.01 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -61.91 -50.34 72.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.19 -52.6 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -135.91 85.42 29.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.611 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.782 . . . . 0.0 111.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.25 172.57 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 26.5 mt -139.95 162.72 34.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.73 82.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 54.6 mt -89.26 -75.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.37 159.93 30.82 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.92 6.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.35 4.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -149.72 139.02 21.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.65 133.14 54.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.55 161.1 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.7 p -173.88 121.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.59 -141.27 4.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -156.19 166.88 32.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.026 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 p -131.99 135.76 46.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.73 -155.23 21.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 56.53 4.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.38 -61.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.9 m -79.09 103.8 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -101.88 104.19 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -42.42 120.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.85 157.41 40.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.72 144.63 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -160.99 104.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -40.23 134.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.18 -138.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.39 140.65 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 0.788 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.69 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.56 97.86 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -108.25 -58.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -150.89 167.09 28.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.83 109.91 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.41 -170.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.11 -154.22 24.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.155 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -28.44 9.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.55 -71.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.895 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -40.03 -49.08 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.84 -61.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.48 74.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -49.06 -57.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' GLU . 3.5 ttt180 -62.65 -62.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' CB ' HD21 ' A' ' 93' ' ' LEU . 3.4 mmtm -69.26 -70.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 91.2 mt -48.05 -24.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.6 mt-10 -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -105.05 -2.92 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -96.49 -29.1 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD11 HG22 ' A' ' 89' ' ' VAL . 79.8 mt -125.37 -43.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.52 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.36 58.34 3.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.759 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -75.0 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.14 -22.63 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.53 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 29.7 t -143.72 107.11 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.13 101.99 8.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.0 mm-40 -119.48 125.18 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.895 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.7 tt -123.39 143.11 50.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.625 ' N ' HD23 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -153.58 154.37 34.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.58 97.01 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t 44.04 55.49 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.53 -118.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.6 55.44 2.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 140.49 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.552 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.24 53.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.4 m -118.93 153.31 52.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 141.41 26.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.42 123.27 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.88 -30.82 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.9 m -68.67 125.93 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . 1.8 mt-10 -115.37 50.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.5 p -87.68 -59.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 104.3 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.552 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.929 ' HB3' HD13 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -120.38 163.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.76 101.01 3.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.701 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.3 p -104.77 149.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -126.19 99.6 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.759 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.4 p -97.47 140.83 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 95.9 t -135.15 94.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.443 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -140.26 158.7 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.048 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -79.18 3.15 18.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -41.02 92.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 4.6 m-85 -90.45 42.24 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.56 87.5 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.81 -36.1 4.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.435 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.2 mmm -41.73 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.81 161.16 73.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.06 11.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.13 -54.35 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -48.85 -34.7 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mtt180 -53.75 -69.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -48.37 -44.67 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -49.69 -51.05 41.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.435 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.82 -45.96 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.769 HG11 HD13 ' A' ' 106' ' ' ILE . 42.4 t -70.98 -55.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 94' ' ' SER . 0.7 OUTLIER -48.19 -44.28 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.37 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -63.18 -47.16 83.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 39' ' ' LYS . 3.7 mm? -116.4 62.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 39.3 t -67.91 -45.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.49 -39.45 76.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.34 -55.93 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 104' ' ' LEU . 2.3 mm? -68.85 -30.93 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 74.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.84 -94.31 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.2 t -77.25 127.02 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.74 -50.78 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.44 104.4 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.929 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -115.42 112.4 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -72.37 98.41 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.769 HD13 HG11 ' A' ' 89' ' ' VAL . 14.9 mt -91.05 145.47 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.604 ' O ' HG12 ' A' ' 72' ' ' VAL . 5.3 tt0 -118.05 97.57 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.09 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -133.3 169.09 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.1 p -109.57 167.7 8.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.75 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -85.49 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.62 ' CZ3' HD21 ' A' ' 120' ' ' LEU . 72.6 t-105 -50.38 -39.05 45.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -54.61 -45.52 73.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -58.23 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.75 83.82 18.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.44 132.15 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.62 HD21 ' CZ3' ' A' ' 114' ' ' TRP . 6.9 mt -93.43 -163.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.8 72.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 38.3 mm -93.39 -58.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.9 p -143.54 142.55 21.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 153.07 41.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.42 2.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 56.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 137.1 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.5 p -175.64 132.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.037 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.59 170.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.28 143.12 4.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -176.1 162.1 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -158.44 146.76 18.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -138.15 14.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 65.51 109.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 0.727 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.58 147.7 26.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -136.61 130.58 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.75 142.95 47.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -91.37 163.8 14.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.67 152.63 20.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.52 156.67 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.0 155.7 16.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -146.6 87.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.8 170.4 14.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.33 -59.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.1 169.36 18.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.13 96.72 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -60.35 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 0.819 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.42 154.61 36.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.14 140.46 49.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.5 178.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -158.14 9.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -26.95 10.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.2 t -75.28 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' HD21 ' A' ' 51' ' ' LEU . 10.6 tt0 -48.87 -59.63 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLU . . . -39.72 -53.76 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.73 -55.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' CG1' ' OE2' ' A' ' 96' ' ' GLU . 37.1 mt -41.0 -50.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' GLU . 6.9 ttt180 -72.56 -64.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.04 -33.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.0 mmtt -70.13 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.783 HD21 HG13 ' A' ' 89' ' ' VAL . 46.3 mt -51.29 -22.47 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.2 mt-10 -64.23 -43.77 93.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -104.64 -3.82 23.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -99.71 -4.53 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -150.31 -46.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.504 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.76 59.75 4.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.74 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.02 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.38 -21.57 21.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.917 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.9 t -149.35 103.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.43 86.36 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.0 mm-40 -92.96 140.16 29.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.88 ' HB2' HG23 ' A' ' 70' ' ' VAL . 7.8 tp -151.72 136.06 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.742 ' N ' HD12 ' A' ' 51' ' ' LEU . 28.4 mmt85 -154.4 173.06 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.33 133.16 47.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -97.33 -61.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.6 p 38.94 87.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.6 -135.09 0.77 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.82 22.98 12.17 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' ND1' HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -51.32 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.44 61.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG22 ' ND1' ' A' ' 58' ' ' HIS . 33.3 m -118.26 152.56 50.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.25 22.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.33 146.25 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.37 47.6 8.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.67 144.45 47.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.22 62.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.529 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 4.9 p -101.66 -52.02 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 125.42 29.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' HB3' HD13 ' A' ' 104' ' ' LEU . 4.3 m-85 -141.78 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 112.47 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -115.53 148.44 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -131.92 99.76 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.74 HG23 ' HG3' ' A' ' 46' ' ' PRO . 7.6 p -94.98 139.71 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.488 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 95.4 t -133.13 92.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -139.15 165.02 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.7 p -85.37 -1.11 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -42.29 93.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 14.4 m-85 -88.39 39.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.79 106.4 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.28 45.62 92.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -172.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -92.26 166.94 16.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.07 4.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' GLN . 4.1 mm? -70.42 -67.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.0 mt-30 -35.75 -49.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 89.6 mtt180 -46.97 -67.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -56.5 -36.12 68.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -60.02 -42.73 94.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.91 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 40' ' ' LEU . 96.6 t -59.55 -55.66 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -50.85 -46.83 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.83 -37.94 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' A' ' 93' ' ' LEU . . . -80.11 -38.01 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 92' ' ' ALA . 2.4 mm? -113.93 58.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.6 t -75.79 -12.23 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.81 -32.46 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' OE2' ' CG1' ' A' ' 36' ' ' ILE . 6.2 mm-40 -62.38 -63.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 97' ' ' LEU . 2.3 mm? -55.86 -25.93 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.62 64.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.99 -102.5 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 101' ' ' VAL . 2.2 t -75.46 117.41 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.529 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -111.73 -15.95 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -163.32 101.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -127.28 118.45 24.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.442 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.06 102.19 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.541 ' HA ' HG12 ' A' ' 70' ' ' VAL . 8.8 mt -86.87 137.36 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.54 96.09 5.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.54 110.21 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -132.68 -179.96 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.5 166.0 13.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.07 8.15 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.51 -30.82 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -87.73 -41.09 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.917 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 28.5 t-105 -51.43 -24.62 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -64.39 -50.28 68.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.59 -38.92 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.74 94.98 1.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.595 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.98 -1.61 11.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -91.52 121.32 33.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.486 HD21 ' HB1' ' A' ' 71' ' ' ALA . 9.7 mt -85.66 149.12 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.47 90.36 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.4 mt -106.79 -56.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 124' ' ' PRO . 97.2 p -147.57 136.03 11.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 123' ' ' SER . 18.2 Cg_endo -75.02 130.49 13.3 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.749 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 86.21 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.93 71.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 108.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tp -97.57 125.39 42.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.9 p 177.84 117.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.769 . . . . 0.0 110.037 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.7 m -165.17 170.24 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.78 175.38 32.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -179.22 169.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.27 172.17 13.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.49 150.76 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.46 136.7 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.98 101.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -120.73 139.73 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 133.83 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 p -177.79 118.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.05 174.13 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.2 t 55.22 96.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 p -133.08 134.14 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 122.69 33.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.72 123.49 7.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -172.59 128.88 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.66 155.8 19.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.01 -126.21 3.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 m -47.36 161.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.0 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.9 103.19 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.73 -171.78 16.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -21.32 16.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG13 ' OE1' ' A' ' 96' ' ' GLU . 75.9 t -76.3 -63.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 5.8 tt0 -48.84 -60.48 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.28 -49.19 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -58.36 -55.1 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.4 mt -39.57 -42.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.93 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.81 -35.29 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -69.03 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 89' ' ' VAL . 34.7 mt -49.71 -23.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.03 -41.21 97.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -105.17 -3.22 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.15 -5.47 27.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.6 mt -148.66 -46.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 9.8 p 61.21 57.78 3.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.707 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.03 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.45 -17.52 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.756 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 12.0 t -149.61 107.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -122.37 87.68 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -96.41 143.64 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.884 ' HB2' HG23 ' A' ' 70' ' ' VAL . 43.7 tp -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -158.43 163.93 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -95.26 122.79 38.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 122' ' ' ILE . 41.4 mm-40 -107.05 -50.92 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 1.2 t 83.01 -64.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.31 -93.23 0.7 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.9 103.45 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.81 -172.14 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.64 55.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.1 m -110.15 155.77 41.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.77 40.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.09 127.24 16.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.5 56.64 23.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.741 ' O ' HG23 ' A' ' 66' ' ' THR . 7.1 t -81.68 5.6 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 38.67 72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 64' ' ' SER . 71.6 p -137.61 -69.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.408 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.1 m170 -85.36 96.33 9.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.708 ' HB3' HD13 ' A' ' 104' ' ' LEU . 9.2 m-85 -111.45 175.42 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.581 ' HD2' HG23 ' A' ' 122' ' ' ILE . 3.1 ttm180 -154.33 109.61 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.884 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -113.16 137.82 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.578 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -118.23 98.89 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.707 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -93.03 135.25 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 82.0 t -130.11 85.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.44 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.08 166.91 20.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.3 p -89.7 -3.39 58.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -28.64 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 15.1 m-85 -97.5 39.67 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.72 94.5 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.31 -40.33 2.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.451 ' CE ' HD13 ' A' ' 88' ' ' LEU . 2.4 mmm -37.96 149.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 0.774 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 82' ' ' PRO . 0.5 OUTLIER -59.24 173.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 81' ' ' SER . 18.3 Cg_endo -75.03 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -70.84 -58.87 3.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -38.7 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 57.9 mtt180 -58.12 -68.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -49.63 -40.61 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.04 -54.73 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.451 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -47.79 -33.16 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.699 HG11 HD13 ' A' ' 106' ' ' ILE . 41.4 t -82.86 -54.84 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' SER . 2.3 m-70 -50.64 -41.55 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -45.81 92.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.9 80.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' ' 96' ' ' GLU . 2.8 mm? -116.91 61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -80.04 -40.85 26.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.952 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -14.58 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.501 ' HG3' HD12 ' A' ' 93' ' ' LEU . 7.1 mm-40 -80.48 -35.13 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD21 HD23 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -103.98 7.28 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.58 40.13 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.79 -76.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.544 ' O ' ' CE1' ' A' ' 102' ' ' HIS . 18.1 Cg_endo -75.05 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.17 145.48 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 100' ' ' PRO . 1.4 m80 -114.23 -55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -129.44 102.91 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' A' ' 68' ' ' PHE . 2.1 tp -115.17 113.62 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.2 98.57 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.699 HD13 HG11 ' A' ' 89' ' ' VAL . 9.1 mt -84.43 145.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -119.65 96.41 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -92.8 109.9 21.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -135.85 171.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.4 164.63 14.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.556 1.819 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.04 -15.88 14.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -100.89 -36.92 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.756 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 59.6 t-105 -57.5 -31.34 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -63.91 -49.64 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.82 -51.59 66.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -144.87 87.03 7.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.552 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.5 Cg_endo -74.97 -19.91 17.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.92 114.17 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 71' ' ' ALA . 9.3 mt -76.28 176.52 8.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.22 77.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 69' ' ' ARG . 80.2 mt -96.1 -87.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 91.7 p -133.32 146.56 61.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 18.5 Cg_endo -75.03 144.74 30.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.3 Cg_endo -74.99 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.3 t -171.02 83.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.8 tp -40.72 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.07 133.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -91.07 144.67 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.68 165.53 29.63 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.8 p -97.37 109.06 21.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.79 174.77 10.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.8 71.36 1.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 110.19 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.46 156.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.0 p -67.59 159.69 29.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -99.61 152.77 19.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.1 p -44.82 140.63 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.5 t -131.37 162.73 29.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 108.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.84 136.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.48 117.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.057 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -65.05 154.44 37.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.9 136.01 2.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.9 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.13 114.4 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.04 101.61 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 m -118.81 124.92 48.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 174.86 5.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.18 151.61 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.73 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.83 -168.95 15.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.64 14.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -79.1 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 4.9 tt0 -49.95 -54.81 17.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.39 -47.13 26.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.51 HD11 HG21 ' A' ' 101' ' ' VAL . 51.6 mt -41.89 -40.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.44 -60.95 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.98 -33.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.9 mmtt -69.76 -71.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.93 HD11 HG13 ' A' ' 89' ' ' VAL . 28.9 mt -50.1 -23.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.57 -42.23 95.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -104.75 -3.86 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.05 -4.18 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 40' ' ' LEU . 29.5 mt -150.29 -46.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.513 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.73 59.25 4.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.781 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.07 -178.12 3.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 5.2 mm-40 -88.37 -20.33 25.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.804 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.0 t -151.72 102.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -115.78 82.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 12.6 mm-40 -88.12 144.38 26.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.722 ' HB2' HG23 ' A' ' 70' ' ' VAL . 9.7 tp -152.17 135.4 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.651 ' H ' HD12 ' A' ' 51' ' ' LEU . 56.9 mmm-85 -154.58 172.68 17.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.073 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -105.81 149.01 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 122' ' ' ILE . 29.6 mm-40 -117.95 -58.56 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.0 p 40.7 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.37 -115.39 3.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.58 113.06 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.732 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER 177.59 145.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 0.0 109.53 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.99 79.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.732 HG21 ' CE1' ' A' ' 58' ' ' HIS . 15.3 m -141.4 161.21 53.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 -166.71 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 121.33 14.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 64' ' ' SER . . . 74.78 -54.05 2.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.469 ' CB ' ' HB ' ' A' ' 60' ' ' VAL . 7.8 t 52.3 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -140.22 50.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 p -118.73 -9.06 10.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.79 126.9 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 30.8 m-85 -146.89 170.16 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.49 111.76 7.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.722 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -112.29 144.7 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.64 99.86 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.781 HG23 ' HG3' ' A' ' 46' ' ' PRO . 12.4 p -94.0 139.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 76.1 t -132.38 86.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.9 165.39 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -84.11 -5.87 59.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.39 -41.88 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -94.46 46.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.83 62.4 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.94 -14.65 12.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 76' ' ' ARG . 16.4 mtp -46.91 173.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.71 162.09 69.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.0 13.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.18 -48.74 8.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' ARG . 64.2 mt-30 -51.35 -50.5 59.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.8 mtt180 -39.18 -63.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.65 -35.23 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLN . 19.8 ttt180 -62.65 -47.6 83.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.49 -52.07 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.93 HG13 HD11 ' A' ' 40' ' ' LEU . 75.8 t -64.82 -58.18 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 22.1 m170 -45.09 -57.79 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -42.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -75.63 -41.89 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.2 mm? -115.88 63.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.6 t -77.31 -40.42 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.81 -30.67 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.546 ' HG3' HD12 ' A' ' 93' ' ' LEU . 7.7 mm-40 -61.77 -58.96 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.431 HD13 HG12 ' A' ' 101' ' ' VAL . 1.5 mm? -60.26 -27.62 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.58 62.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.36 -102.4 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.51 HG21 HD11 ' A' ' 36' ' ' ILE . 21.4 t -79.96 113.28 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -97.22 -35.69 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.31 109.95 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -126.9 124.81 40.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.468 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -79.44 101.12 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.534 ' HA ' HG12 ' A' ' 70' ' ' VAL . 33.2 mt -85.81 141.76 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.24 98.93 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -98.07 117.08 31.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.62 -174.3 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 p -121.58 163.46 30.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.63 -20.68 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -98.87 -36.3 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.804 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 27.3 t-105 -58.45 -27.53 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.85 -58.18 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -134.49 82.11 46.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.55 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -86.2 121.18 28.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 39.9 mt -89.73 152.72 21.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.48 74.31 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.405 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 18.9 pt -99.93 -40.25 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -160.51 146.45 11.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.57 33.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.41 2.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.7 133.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 -60.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -178.98 169.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 m -132.15 167.06 20.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.27 -172.32 17.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -156.97 165.61 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.779 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -144.25 159.41 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.07 143.21 7.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.26 161.03 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.27 135.38 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.48 123.32 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -173.81 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 p -69.51 128.36 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.25 141.16 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -143.69 130.87 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m 64.44 161.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -35.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.02 148.64 18.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.1 m 65.63 150.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.32 140.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.09 -104.65 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.47 -57.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.46 174.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 41.98 67.53 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.99 -177.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.65 -166.95 15.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -17.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG13 ' OE1' ' A' ' 96' ' ' GLU . 91.4 t -78.31 -68.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 51' ' ' LEU . 14.4 tt0 -45.28 -56.5 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.11 -50.21 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.35 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -43.83 -39.07 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 15.0 ttp-105 -81.29 -65.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.14 -32.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.5 mmtt -69.47 -71.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 44' ' ' LEU . 61.3 mt -50.04 -23.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.15 -45.79 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -105.29 -3.04 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.59 0.29 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.78 ' CD1' HD22 ' A' ' 40' ' ' LEU . 82.7 mt -152.65 -46.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.531 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 64.12 57.58 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.691 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.03 -23.11 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 45.4 t -147.25 107.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -114.68 94.56 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.0 mm-40 -100.3 131.04 46.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.782 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.2 tp -144.97 134.96 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.782 ' N ' HD12 ' A' ' 51' ' ' LEU . 34.1 mmm-85 -148.06 176.54 10.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -105.69 139.7 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -121.34 -55.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 t -40.79 149.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.61 67.22 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.75 64.54 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.67 ' NE2' HG11 ' A' ' 60' ' ' VAL . 3.4 p80 -171.97 70.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 46.99 50.29 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG11 ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -131.53 156.48 80.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 166.42 29.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 147.5 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.24 62.0 5.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.103 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -97.43 155.69 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -156.42 48.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.8 p -100.65 -9.84 21.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.73 115.27 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.724 ' HB3' HD13 ' A' ' 104' ' ' LEU . 5.6 m-85 -130.58 171.24 13.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HG2' HG22 ' A' ' 122' ' ' ILE . 0.0 OUTLIER -147.53 108.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.652 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.71 144.9 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -130.34 99.96 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 46' ' ' PRO . 11.4 p -96.74 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.7 t -138.18 92.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -142.43 164.54 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -80.23 -19.02 47.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -42.11 -38.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -94.17 44.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 97.28 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.38 24.22 72.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.499 ' CE ' HD13 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -86.13 157.9 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 0.81 . . . . 0.0 111.031 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.71 160.74 7.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.9 -42.54 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.74 -41.46 77.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -51.11 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.09 -30.05 61.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -57.96 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.499 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -44.04 -34.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.617 HG13 HD21 ' A' ' 40' ' ' LEU . 59.0 t -83.21 -57.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.507 ' O ' ' CA ' ' A' ' 94' ' ' SER . 2.3 m-70 -47.53 -36.57 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -44.53 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.542 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -70.83 -42.49 70.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.7 mm? -120.75 63.83 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.6 OUTLIER -81.76 -32.6 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.29 -23.02 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.57 ' HG3' HD12 ' A' ' 93' ' ' LEU . 6.8 mm-40 -71.21 -39.79 71.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.626 HD21 HD23 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -99.67 7.18 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -122.72 43.32 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.6 -78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.1 t -63.91 140.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -111.55 -54.03 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.55 103.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.1 tp -116.36 120.35 38.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.445 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.34 99.5 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.559 ' HA ' HG12 ' A' ' 70' ' ' VAL . 9.9 mt -86.33 140.79 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.92 96.29 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.83 114.59 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.11 -179.07 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 p -118.65 164.29 21.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.73 -14.16 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -103.16 -34.98 8.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.561 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 59.1 t-105 -60.67 -35.99 77.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 107.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 15.6 mtp-105 -60.74 -42.14 96.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.42 -51.17 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.09 81.89 15.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -3.16 13.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.426 1.75 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -80.79 120.95 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 25.7 mt -85.91 164.94 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.99 52.96 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.43 HG22 ' HG2' ' A' ' 69' ' ' ARG . 6.7 pt -98.84 -47.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.0 p -169.94 141.93 1.87 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 132.02 14.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 71.31 5.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 42.74 -158.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.87 -58.17 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 28.1 tt0 -50.87 -58.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.66 -53.1 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -55.38 26.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.434 HD11 HG21 ' A' ' 101' ' ' VAL . 46.6 mt -42.05 -36.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.34 -35.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -69.02 -71.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 89' ' ' VAL . 53.3 mt -48.34 -24.27 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 39' ' ' LYS . 6.0 mt-10 -62.81 -43.65 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -104.1 -3.5 24.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.6 -3.64 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -150.69 -46.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.508 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 15.0 p 60.15 59.45 4.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.728 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.01 -179.3 4.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.4 -20.83 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.576 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 15.0 t -150.7 107.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.702 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.84 96.77 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 16.7 mm-40 -104.71 140.48 37.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.704 ' HB2' HG23 ' A' ' 70' ' ' VAL . 29.2 tp -150.19 140.38 22.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.03 125.28 42.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' LEU . 1.9 m-85 -140.66 161.69 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.755 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.28 123.1 21.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -123.14 147.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.55 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -125.06 99.49 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.728 HG23 ' HG3' ' A' ' 46' ' ' PRO . 7.5 p -96.54 137.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 85.7 t -130.03 87.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -133.51 163.62 28.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 p -81.36 -15.72 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -46.12 -42.27 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.5 42.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.38 94.93 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.6 41.75 93.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.16 179.43 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.32 159.12 75.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.81 11.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.19 -49.06 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -50.55 -48.04 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 85.9 mtt180 -45.91 -64.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.04 -45.12 67.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -50.3 -50.38 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.59 -57.1 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 40' ' ' LEU . 48.8 t -62.63 -58.14 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.475 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 13.9 m170 -43.69 -42.03 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.64 76.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.87 89.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 2.3 mm? -112.21 59.61 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.16 -34.97 68.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.29 -30.26 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 8.3 mm-40 -63.87 -53.07 56.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.475 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.5 mm? -70.14 -16.94 63.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.39 62.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.86 -96.44 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 104' ' ' LEU . 6.5 t -74.93 127.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -166.14 111.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.705 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -130.44 128.94 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.755 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.6 99.57 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.705 HG12 HD11 ' A' ' 104' ' ' LEU . 37.8 mt -87.44 126.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -96.84 103.34 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . . . -100.41 105.72 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -127.03 -176.93 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 164.13 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.86 8.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.78 -35.38 7.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -82.7 -42.03 18.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.576 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 63.0 t-105 -50.56 -46.37 57.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -52.05 -37.34 53.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -54.88 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -133.85 77.49 62.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.528 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.94 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -84.04 117.98 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.55 HD21 ' HB1' ' A' ' 71' ' ' ALA . 9.6 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 4.0 tt0 -48.68 -52.28 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.39 -45.25 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.01 75.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 101' ' ' VAL . 24.4 mt -45.63 -35.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.08 -34.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.7 mmtt -69.13 -71.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.728 HD11 HG13 ' A' ' 89' ' ' VAL . 92.2 mt -47.97 -25.82 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.09 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -104.54 -3.59 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.14 -5.4 25.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 40' ' ' LEU . 46.8 mt -150.21 -46.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.82 59.67 4.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.747 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 179.48 6.06 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.75 -20.51 27.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.5 t -150.51 105.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.585 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -117.42 87.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 2.7 mm-40 -94.21 139.29 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.674 ' HB2' HG23 ' A' ' 70' ' ' VAL . 31.1 tp -152.34 134.42 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 101' ' ' VAL . 21.6 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.47 139.2 40.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 5.5 m-85 -152.53 163.14 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -137.61 118.98 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -119.39 148.07 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.556 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -128.54 99.64 5.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.747 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.9 p -96.42 140.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.1 t -133.81 86.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -133.54 163.67 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -83.11 -5.96 59.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -39.52 69.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 12.0 m-85 -89.02 38.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 92.9 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.3 34.24 89.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.25 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -69.88 155.33 93.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.57 -46.16 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.85 -51.53 65.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 76.9 mtt180 -40.31 -62.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.93 -42.27 84.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.641 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -46.75 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -45.12 69.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 40' ' ' LEU . 75.3 t -71.59 -50.68 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.456 ' CD2' HD13 ' A' ' 97' ' ' LEU . 51.7 m170 -52.82 -45.25 67.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -45.45 72.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' HD13 ' A' ' 93' ' ' LEU . . . -73.03 -41.78 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.688 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.1 mm? -112.43 61.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -83.11 -32.56 26.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.64 -11.48 59.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' VAL . 40.6 mm-40 -82.3 -37.45 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.635 HD21 HD23 ' A' ' 104' ' ' LEU . 1.2 mt -99.54 4.22 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.15 39.87 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.81 -75.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 36' ' ' ILE . 4.6 t -60.0 137.13 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -112.04 -26.15 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -174.07 115.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -130.6 135.14 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.552 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -80.2 100.92 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.635 HD13 HG11 ' A' ' 89' ' ' VAL . 20.7 mt -85.14 137.6 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.525 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -108.44 96.52 6.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.18 101.45 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.69 173.07 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.71 165.27 13.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.57 8.72 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.62 -29.43 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -88.13 -44.92 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.598 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 60.5 t-105 -48.65 -35.85 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -58.89 -49.33 78.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -56.39 21.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.44 85.7 17.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.598 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -15.33 20.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.69 119.37 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.556 HD11 ' CB ' ' A' ' 71' ' ' ALA . 17.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 7.7 tt0 -49.22 -58.01 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.0 -51.15 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.18 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.6 mt -40.34 -45.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NE ' ' CD ' ' A' ' 41' ' ' GLU . 3.7 ttp180 -74.11 -63.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.3 -36.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.6 mmtt -68.68 -71.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 89' ' ' VAL . 82.9 mt -48.05 -25.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' NE ' ' A' ' 37' ' ' ARG . 19.6 mt-10 -62.97 -42.03 99.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -104.81 -3.72 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.88 -7.35 27.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.2 mt -147.34 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.515 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.6 59.11 3.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.717 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.03 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.16 -20.36 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.689 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.2 t -150.6 104.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.548 HD12 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -115.28 87.61 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 7.6 mm-40 -92.91 140.86 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 52' ' ' ARG . 3.8 tp -149.29 131.9 15.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.719 ' N ' HD12 ' A' ' 51' ' ' LEU . 25.1 mmm-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 5.9 m170 -94.47 112.07 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.65 ' HB3' HD13 ' A' ' 104' ' ' LEU . 6.4 m-85 -126.62 175.19 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.597 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -152.46 114.23 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.658 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -118.09 141.93 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -123.26 99.87 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.717 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.3 p -94.41 143.41 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 87.7 t -134.74 86.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -132.22 163.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -84.62 -8.0 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 5.0 mmp_? -54.79 -37.8 66.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.9 39.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.09 80.15 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.72 30.94 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.505 ' HE1' HD11 ' A' ' 88' ' ' LEU . 7.6 mtp -91.66 162.3 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 m -66.19 159.47 71.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -24.45 12.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.71 -44.28 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.21 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -44.39 -62.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -60.95 -35.2 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.591 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.85 -45.01 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.505 HD11 ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -50.14 -52.62 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.604 HG13 HD11 ' A' ' 40' ' ' LEU . 22.4 t -65.0 -56.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 57.5 m170 -46.86 -42.77 17.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.29 -39.35 75.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.545 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -77.25 -41.53 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.3 mm? -118.68 64.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.6 OUTLIER -83.09 -32.05 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -14.39 59.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 93' ' ' LEU . 5.8 mm-40 -77.63 -30.57 52.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -105.36 7.96 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.1 62.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.03 -70.34 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.5 t -81.91 151.46 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 2.0 m-70 -126.97 -51.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . . . -126.38 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.3 tp -117.19 112.65 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.597 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.4 99.89 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.658 HG23 ' CG1' ' A' ' 70' ' ' VAL . 27.1 mt -89.44 142.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.73 96.48 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.84 105.69 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.06 169.22 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.3 164.81 14.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.59 -14.6 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -103.89 -34.31 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.689 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 34.9 t-105 -63.13 -28.6 70.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 107.987 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -66.25 -50.98 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.05 -43.29 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -147.84 84.25 7.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.0 124.45 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 13.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 76.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 6.1 tt0 -47.76 -58.46 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.92 -48.72 5.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -57.88 -54.47 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 22.2 mt -39.72 -41.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG3' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -84.35 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.8 mmtt -68.24 -71.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.807 HD11 HG13 ' A' ' 89' ' ' VAL . 64.6 mt -45.69 -28.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' HD13 ' A' ' 49' ' ' LEU . 15.3 mt-10 -60.69 -41.28 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' LYS . 12.3 pt20 -104.79 -3.11 23.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.645 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.2 -33.96 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.644 ' CD1' HD22 ' A' ' 40' ' ' LEU . 39.7 mt -121.78 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 56.63 58.76 8.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.829 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -88.85 -20.65 24.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.695 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -149.83 103.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -114.34 83.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.6 mm-40 -90.35 138.72 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.72 HD13 HG23 ' A' ' 70' ' ' VAL . 24.8 tp -151.14 135.61 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -118.46 129.0 55.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 16.1 m-85 -153.57 165.58 35.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.517 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -141.82 117.59 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.72 HG23 HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -116.06 147.33 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -128.75 99.58 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.829 HG23 ' HG3' ' A' ' 46' ' ' PRO . 13.2 p -94.67 136.4 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 86.8 t -130.38 86.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.49 165.16 24.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.9 p -88.02 1.95 52.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.8 -41.09 97.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 10.7 m-85 -87.12 38.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.71 75.16 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.38 27.12 8.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.0 mtt -96.16 157.11 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.44 170.9 6.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.24 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.64 -54.39 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -46.26 -54.76 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 82.2 mtt180 -43.24 -65.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.77 -54.61 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -43.61 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.807 HG13 HD11 ' A' ' 40' ' ' LEU . 65.5 t -72.77 -55.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 97' ' ' LEU . 63.2 m170 -47.62 -37.03 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.59 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' HB3' HD22 ' A' ' 93' ' ' LEU . . . -74.2 -40.02 62.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.699 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.3 mm? -109.53 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.3 p -75.6 -48.18 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.54 -13.42 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -78.57 -44.31 24.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.741 HD21 HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -97.02 4.42 51.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -119.02 40.02 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.66 -82.51 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.534 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -74.96 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -60.37 137.4 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 39.5 m170 -114.2 -37.19 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.39 120.68 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.741 HD23 HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -138.34 130.21 28.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.547 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -82.49 100.23 9.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.55 HG23 ' CG1' ' A' ' 70' ' ' VAL . 16.8 mt -86.51 129.78 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.494 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -102.26 100.79 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.48 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -130.71 172.47 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.47 166.66 10.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.69 -28.08 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.96 -40.53 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.695 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 69.8 t-105 -52.09 -37.28 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 16.4 mtp-105 -57.14 -51.96 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -55.76 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -140.2 86.12 13.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.566 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.95 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -84.38 119.99 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.549 HD21 ' HB1' ' A' ' 71' ' ' ALA . 16.5 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.905 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -48.15 -46.26 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -60.24 -46.2 90.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.24 -38.8 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.64 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.5 -33.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtp -68.93 -71.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.852 HD11 HG13 ' A' ' 89' ' ' VAL . 51.4 mt -48.33 -24.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' LYS . 4.2 mt-10 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -104.59 -5.45 21.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -96.37 -25.83 15.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 40' ' ' LEU . 94.3 mt -129.98 -45.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.29 59.1 3.29 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.794 ' CD ' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.96 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.16 -20.49 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.785 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.8 t -149.41 107.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.794 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -120.91 104.41 9.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.31 150.7 39.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.905 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -144.44 148.82 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.617 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 tpt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 82.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.414 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.2 t-80 -54.19 101.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -121.74 159.09 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -133.11 121.15 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.583 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -123.92 140.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -118.57 99.73 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.721 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -95.78 139.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 93.3 t -132.6 88.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -135.14 165.7 24.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.6 p -86.62 -5.42 59.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -55.43 -35.69 65.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -94.46 42.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 83.45 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.1 -25.48 28.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.6 166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 168.6 26.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.95 10.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.8 -51.17 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -48.59 -38.89 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.6 mtt180 -52.95 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 12.1 m170 -56.73 -31.75 64.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -66.45 -38.65 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -54.55 -48.44 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.852 HG13 HD11 ' A' ' 40' ' ' LEU . 61.3 t -70.24 -40.22 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 86' ' ' HIS . 41.3 m170 -61.53 -38.01 85.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -47.42 85.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.48 57.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.447 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.7 mm? -114.38 60.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.8 OUTLIER -80.98 -28.35 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -83.69 -11.49 57.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 73.7 mm-40 -79.5 -38.04 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' CD1' ' CD2' ' A' ' 90' ' ' HIS . 1.2 mt -99.47 3.5 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.63 39.26 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.46 -77.84 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.413 HG12 HD23 ' A' ' 97' ' ' LEU . 14.3 t -58.51 142.17 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 34.7 m170 -115.12 -37.46 4.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -162.99 108.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.804 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -123.34 133.22 54.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.45 101.33 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.804 HG12 HD11 ' A' ' 104' ' ' LEU . 31.8 mt -89.48 121.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.415 HE21 HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -93.14 96.87 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.07 108.69 20.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -133.93 156.63 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.75 165.09 21.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.88 -24.46 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.58 -42.76 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.785 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 42.0 t-105 -52.11 -27.97 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.61 -46.11 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.55 -52.93 63.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -139.54 80.98 20.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -2.08 12.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -81.86 118.17 22.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.3 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.482 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 43.7 tt0 -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.35 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.37 80.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 101' ' ' VAL . 50.3 mt -48.5 -42.7 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -80.9 -64.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.24 -35.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.1 mmtp -69.44 -68.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.713 HD21 HG13 ' A' ' 89' ' ' VAL . 44.6 mt -51.29 -22.49 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.5 -41.85 92.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.83 -3.69 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -103.24 -2.54 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 40' ' ' LEU . 51.1 mt -150.77 -46.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.99 60.03 4.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.736 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -178.56 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.19 -20.93 22.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.594 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.1 t -150.85 105.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.69 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.69 89.76 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.84 132.65 45.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.671 HD13 HG23 ' A' ' 70' ' ' VAL . 14.7 tp -139.75 136.7 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.584 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 81.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.7 t-160 -55.72 136.81 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.5 m-85 -159.48 157.98 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.5 ttt180 -133.97 119.82 19.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG23 HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -120.02 146.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.22 100.03 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.736 HG23 ' HG3' ' A' ' 46' ' ' PRO . 14.4 p -98.74 140.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 85.0 t -130.5 88.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -134.25 160.61 37.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.1 p -82.19 -6.98 59.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -37.36 66.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 18.2 m-85 -89.67 39.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.0 104.19 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.44 45.28 96.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.66 169.29 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 167.43 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.53 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.5 tp -75.39 -54.15 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.09 -54.94 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.486 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 90.2 mtt180 -45.03 -68.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -50.43 -45.6 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -49.42 -50.12 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -54.39 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 HD21 ' A' ' 40' ' ' LEU . 69.6 t -63.6 -52.95 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 9.9 m170 -48.78 -45.64 40.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.592 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -47.35 81.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.534 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -65.59 -44.73 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.534 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -113.37 60.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.77 -47.43 46.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -22.21 48.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 96' ' ' GLU . 2.4 mp0 -69.87 -58.49 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.45 -14.86 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.72 63.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.37 -96.13 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -65.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.524 HG21 HD11 ' A' ' 36' ' ' ILE . 31.9 t -69.2 133.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -109.01 -37.67 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.7 129.41 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -148.11 130.43 15.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.64 96.86 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.548 ' HA ' HG12 ' A' ' 70' ' ' VAL . 8.4 mt -80.8 122.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' NE2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -98.17 100.66 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -100.81 111.96 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.26 174.24 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -110.33 164.74 14.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.84 8.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.48 -25.19 11.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.614 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 28.1 t-105 -54.89 -22.73 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -65.96 -49.25 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -136.76 85.38 24.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.614 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.01 1.84 7.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.82 173.04 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.583 HD23 ' NE2' ' A' ' 107' ' ' GLN . 17.4 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.758 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.2 tm-20 -50.36 -43.47 54.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.58 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.64 74.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.8 mt -48.43 -53.56 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.6 ttt180 -66.85 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' CB ' HD21 ' A' ' 93' ' ' LEU . 5.1 mmtt -69.37 -70.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 HG13 ' A' ' 89' ' ' VAL . 96.9 mt -48.36 -23.94 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 37' ' ' ARG . 18.2 mt-10 -64.63 -42.56 95.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -105.14 -2.82 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.19 -17.79 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' CD1' HD22 ' A' ' 40' ' ' LEU . 77.1 mt -135.0 -46.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 63.52 57.69 1.96 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.687 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.08 179.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . 2.6 mm-40 -96.35 -18.71 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.715 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 45.3 t -146.87 107.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -119.33 109.74 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' ALA . 12.1 mm-40 -125.61 132.33 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.4 tt -131.44 146.45 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.599 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 58.5 p . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.567 0.222 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 0.0 OUTLIER -57.12 113.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.588 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.862 ' HB3' HD13 ' A' ' 104' ' ' LEU . 1.5 m-85 -132.05 171.55 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' NH2' ' CB ' ' A' ' 105' ' ' ALA . 1.9 ttm-85 -150.48 110.22 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.676 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -115.38 154.81 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -131.79 99.6 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.687 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -96.63 139.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 84.2 t -132.56 100.98 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -151.11 168.8 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.4 p -82.14 -3.94 55.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.07 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 72' ' ' VAL . 10.4 m-85 -100.79 46.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 94.1 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.94 37.04 91.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.508 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.6 mtm -100.59 160.88 13.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.0 157.64 10.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -28.28 9.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.61 -34.42 23.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -66.78 -39.75 87.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -51.98 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.0 -41.93 71.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -51.41 -55.35 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.98 -41.69 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.744 HG11 HD13 ' A' ' 106' ' ' ILE . 53.2 t -74.47 -58.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.523 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 16.2 m170 -46.82 -35.64 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -45.43 93.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.64 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -72.95 -37.63 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.897 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.6 mm? -118.59 60.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.3 t -71.97 -51.86 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -55.43 -25.89 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.897 ' HG3' HD12 ' A' ' 93' ' ' LEU . 6.6 mm-40 -70.49 -53.56 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 1.5 mm? -73.7 -15.52 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.99 72.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.6 -93.07 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 t -79.3 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -106.21 -42.63 5.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.79 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.862 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -115.61 118.64 33.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.668 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.31 99.24 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.744 HD13 HG11 ' A' ' 89' ' ' VAL . 26.2 mt -92.15 140.8 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' CE ' ' A' ' 109' ' ' LYS . 22.4 tt0 -116.62 96.19 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.496 ' HB1' ' CG ' ' A' ' 77' ' ' PHE . . . -89.79 109.32 20.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' CE ' ' CG ' ' A' ' 107' ' ' GLN . 6.3 mttt -126.0 170.61 11.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 111' ' ' PRO . 68.2 p -103.7 163.28 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 1.71 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -29.94 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' GLU . 4.5 mt-30 -85.15 -43.75 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.715 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 71.2 t-105 -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -58.49 -47.47 83.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 113' ' ' GLN . 4.4 mm-40 -50.81 -58.68 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -141.18 85.17 12.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.04 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 127.35 33.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.579 HD21 ' CH2' ' A' ' 114' ' ' TRP . 8.7 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' OE1' ' A' ' 96' ' ' GLU . 71.4 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 20.6 tt0 -45.56 -48.52 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.54 -51.8 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.37 68.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 101' ' ' VAL . 44.5 mt -50.7 -36.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -86.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -39.75 -34.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.6 mmtt -68.66 -71.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.806 ' HG ' HD21 ' A' ' 93' ' ' LEU . 86.8 mt -47.73 -25.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.6 mt-10 -62.51 -42.02 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -104.97 -3.47 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -95.73 -35.93 11.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -119.5 -42.66 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.44 58.47 4.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.855 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.03 -177.75 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.04 -20.74 19.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.789 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 13.8 t -147.5 100.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.716 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -112.58 92.32 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.3 mm-40 -97.54 138.42 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.3 tp -150.04 132.54 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.706 ' N ' HD12 ' A' ' 51' ' ' LEU . 83.5 mmt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 101' ' ' VAL . 41.3 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.07 110.1 12.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -126.18 149.81 48.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -123.06 118.91 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -119.32 150.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -132.25 99.78 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.855 HG23 ' HG3' ' A' ' 46' ' ' PRO . 14.5 p -95.4 136.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 94.1 t -129.74 90.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.16 159.95 40.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 p -81.25 -9.5 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.075 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.68 -42.82 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.0 m-85 -88.03 41.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.62 74.41 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.13 -26.47 20.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 88' ' ' LEU . 79.6 mtp -40.54 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 156.61 74.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.13 13.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -83.89 -44.64 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.31 -47.6 83.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 59.2 mtt180 -38.86 -57.49 1.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -56.49 -49.46 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -45.7 -49.04 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.425 HD13 ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.69 -46.95 70.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 85' ' ' ARG . 2.5 t -68.4 -51.34 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 61.6 m170 -49.97 -47.26 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -47.4 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.42 80.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.806 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.5 mm? -112.29 60.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.5 t -80.55 -41.58 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.27 -16.44 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.467 ' OE1' HG13 ' A' ' 32' ' ' VAL . 34.8 mm-40 -75.66 -45.5 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.816 HD21 HD23 ' A' ' 104' ' ' LEU . 1.5 mt -93.92 1.61 56.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -117.28 42.08 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.17 -80.64 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 36' ' ' ILE . 3.9 t -61.79 144.1 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -114.5 -46.96 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.92 114.78 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.816 HD23 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -129.68 126.57 38.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.11 105.46 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.754 HG12 HD11 ' A' ' 104' ' ' LEU . 8.4 mt -87.86 134.48 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.7 96.65 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 107.81 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -132.91 159.2 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.41 165.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.59 8.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.6 -20.3 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -97.36 -41.13 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.789 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 26.1 t-105 -55.75 -31.14 62.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.56 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.46 -54.63 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -137.59 85.14 21.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.496 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.02 -16.84 19.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.91 123.97 20.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.2 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.937 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.97 -46.49 11.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -44.53 -63.82 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.81 -49.14 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.13 -58.16 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.14 -37.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.7 mmtt -69.14 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.618 HD11 HG13 ' A' ' 89' ' ' VAL . 76.7 mt -47.9 -24.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.4 mt-10 -62.34 -44.48 96.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -104.6 -3.29 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -99.33 -8.15 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -145.14 -47.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.92 59.19 2.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.027 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.743 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.18 -23.06 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.586 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -145.75 106.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.27 106.45 13.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.2 mm-40 -120.3 124.56 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.937 HD13 ' HG2' ' A' ' 33' ' ' GLU . 2.0 tt -125.58 142.86 51.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.639 ' N ' HD23 ' A' ' 51' ' ' LEU . 20.5 mmm-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -90.81 114.57 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.0 m-85 -126.53 168.44 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -148.54 124.88 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.605 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.5 p -129.19 153.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.532 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -130.05 99.62 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.81 135.81 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.474 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.6 t -126.74 91.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.09 165.45 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.34 -12.4 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -40.56 49.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.79 41.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.7 82.6 8.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -32.3 7.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.442 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 4.6 mmm -38.95 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.7 167.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -73.82 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -39.99 -40.13 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 60.2 mtt180 -52.7 -68.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.81 -47.79 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.625 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -46.49 -51.05 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -40.61 60.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.854 HG11 HD13 ' A' ' 106' ' ' ILE . 85.3 t -74.57 -52.63 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.505 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 11.0 m170 -51.88 -47.89 64.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -45.53 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.454 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -63.67 -42.11 98.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.529 HD23 HD21 ' A' ' 40' ' ' LEU . 3.3 mm? -118.63 60.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.5 OUTLIER -68.44 -49.1 62.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -38.19 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.02 -61.21 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.505 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 1.8 mm? -61.15 -25.52 67.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.68 64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.94 -101.76 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.804 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 t -76.11 125.17 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -105.8 -44.0 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.75 97.49 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -106.19 111.45 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.599 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.92 95.78 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.854 HD13 HG11 ' A' ' 89' ' ' VAL . 13.0 mt -86.32 145.2 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.21 96.9 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.59 111.84 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -132.08 -178.88 5.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.91 164.47 19.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.0 -20.13 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -95.98 -42.63 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.586 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 52.1 t-105 -53.14 -30.45 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -64.52 -52.54 57.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -52.37 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -140.98 83.8 13.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -75.03 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.43 130.01 38.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 71' ' ' ALA . 49.6 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.836 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -50.31 -49.67 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -45.63 -49.79 13.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.73 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -50.06 -56.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -62.44 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.65 -37.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' CB ' HD21 ' A' ' 93' ' ' LEU . 5.2 mmtt -67.43 -71.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.664 HD11 HG13 ' A' ' 89' ' ' VAL . 66.3 mt -47.15 -28.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -58.22 -43.72 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -104.72 -3.7 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.09 -4.0 28.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -151.62 -46.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.47 59.56 3.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.738 ' CD ' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 179.01 6.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -89.3 -21.38 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.616 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 39.4 t -148.35 108.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.738 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -121.16 101.43 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.24 148.56 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.836 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -146.37 149.36 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.72 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.22 119.46 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.643 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.2 m-85 -130.86 178.71 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 105.29 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.684 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -111.07 147.44 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.24 100.33 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.0 p -95.54 142.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.4 t -134.89 93.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -141.7 167.33 22.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 p -85.97 -3.88 59.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.19 -39.36 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.2 m-85 -93.42 43.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.78 76.68 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.35 -30.79 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.444 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 3.4 mmm -43.51 150.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.52 167.39 1.78 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.48 11.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.75 -61.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -38.84 -41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 34.3 mtt180 -47.85 -64.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -51.29 -33.08 27.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' GLU . 10.3 ttt-85 -64.51 -43.16 94.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -50.15 -46.91 54.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 40' ' ' LEU . 76.5 t -71.48 -50.57 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 25.0 m170 -53.54 -31.04 44.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.555 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -66.25 -42.64 88.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.771 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -78.47 -37.36 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 92' ' ' ALA . 2.1 mm? -119.76 61.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER -73.55 -48.73 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.23 -15.53 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.665 ' HG2' HD12 ' A' ' 93' ' ' LEU . 11.4 mp0 -77.3 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -64.76 -21.48 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.72 57.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.77 -99.87 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.05 125.75 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -104.9 -42.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.33 100.98 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -114.33 123.63 49.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.698 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -79.33 96.68 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.642 HG23 ' CG1' ' A' ' 70' ' ' VAL . 12.6 mt -87.93 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.91 96.32 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.87 114.94 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -133.81 -178.43 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -116.12 164.25 18.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.6 -30.57 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -86.2 -41.37 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.645 ' CZ3' HD21 ' A' ' 120' ' ' LEU . 71.5 t-105 -49.21 -37.53 23.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -53.07 -55.07 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.92 -56.95 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -134.01 85.77 39.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.634 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 2.87 6.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.81 176.81 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.645 HD21 ' CZ3' ' A' ' 114' ' ' TRP . 11.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 96' ' ' GLU . 72.6 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.954 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -42.41 -55.63 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -40.03 -55.67 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.09 74.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -48.42 -67.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG3' HD22 ' A' ' 49' ' ' LEU . 8.5 ttp180 -55.09 -57.25 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.71 -40.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.65 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -67.66 -71.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.882 HD12 HD12 ' A' ' 44' ' ' LEU . 4.0 mm? -44.02 -33.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -56.21 -42.81 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' LYS . 22.7 pt20 -104.17 -3.45 24.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.72 -9.39 20.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.882 HD12 HD12 ' A' ' 40' ' ' LEU . 99.0 mt -144.35 -46.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.26 60.36 3.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.712 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.56 -22.53 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.708 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.4 t -147.08 109.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.48 105.23 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 6.0 mm-40 -118.88 130.33 55.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.954 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.7 tt -131.08 144.39 51.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.698 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.14 122.85 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.542 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.696 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.2 m-85 -136.05 171.96 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.757 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -153.65 116.93 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.779 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -121.15 139.03 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.516 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -115.47 99.24 7.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.0 p -93.38 140.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.3 t -133.38 87.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -134.58 165.74 24.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -84.38 -7.45 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -39.22 70.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE2' HG13 ' A' ' 72' ' ' VAL . 9.9 m-85 -88.1 38.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.39 106.7 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.26 44.29 84.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p -90.3 167.86 15.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 84' ' ' GLN . 14.4 mt -68.66 -67.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.5 mt-30 -36.61 -53.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 84.8 mtt180 -44.05 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -56.11 -46.65 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -49.05 64.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.612 ' HA ' HD11 ' A' ' 40' ' ' LEU . 94.7 t -70.03 -50.33 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 10.0 m170 -52.07 -38.93 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -45.99 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.414 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -58.14 -49.1 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 39' ' ' LYS . 3.6 mm? -118.85 62.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.5 t -68.19 -36.22 79.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.78 -37.39 87.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.633 ' OE1' HG13 ' A' ' 32' ' ' VAL . 31.1 mm-40 -55.38 -64.02 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -53.66 -22.39 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.72 67.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.81 -100.83 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 t -83.63 129.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.57 -40.91 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.569 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.57 101.43 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -115.21 113.76 24.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.757 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -78.84 103.68 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.779 HG23 ' CG1' ' A' ' 70' ' ' VAL . 12.8 mt -92.48 142.22 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.613 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -112.02 103.13 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.16 107.06 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -133.92 155.63 49.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.6 p -90.7 163.88 28.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.49 8.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.92 -22.27 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -94.18 -40.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.708 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 43.5 t-105 -53.76 -34.2 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -62.41 -48.03 81.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -46.86 83.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -146.22 83.62 8.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.497 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.07 -9.62 20.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -72.18 118.96 15.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.516 HD21 ' HB1' ' A' ' 71' ' ' ALA . 18.7 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 71.1 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 5.6 tt0 -52.62 -59.31 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.02 -43.16 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.425 ' C ' ' N ' ' A' ' 37' ' ' ARG . . . -63.36 -56.91 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' ALA . 44.5 mt -39.5 -32.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.81 -68.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.68 -30.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.3 mmtm -68.73 -69.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.698 HD11 HG13 ' A' ' 89' ' ' VAL . 93.8 mt -49.17 -25.37 2.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' HG3' HD13 ' A' ' 49' ' ' LEU . 16.7 mt-10 -62.7 -42.02 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -104.6 -3.58 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -102.99 -9.7 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.572 ' CD1' HD22 ' A' ' 40' ' ' LEU . 57.2 mt -145.67 -46.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.68 58.79 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.758 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 -178.98 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.22 -20.7 23.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.65 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 19.8 t -149.97 107.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -115.79 89.76 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 6.7 mm-40 -100.32 127.6 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 52' ' ' ARG . 8.0 tp -140.5 136.3 32.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.733 ' N ' HD12 ' A' ' 51' ' ' LEU . 41.9 mmt180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.89 98.03 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.611 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.4 m-85 -115.13 163.47 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.9 121.35 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -121.5 151.99 24.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -134.21 100.05 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 46' ' ' PRO . 13.6 p -99.16 141.82 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 97.5 t -131.71 88.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.433 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -134.98 162.74 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 p -82.3 -9.22 59.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.9 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 6.6 m-85 -93.22 43.25 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.05 88.2 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.78 29.41 42.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.35 158.51 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 169.92 4.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.14 12.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.24 -56.73 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' LEU . 3.2 mt-30 -43.6 -47.8 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 36.1 mtt-85 -49.57 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 12.0 m170 -56.43 -32.38 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -66.3 -38.21 87.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' GLN . 0.5 OUTLIER -57.41 -54.2 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.698 HG13 HD11 ' A' ' 40' ' ' LEU . 71.6 t -65.91 -40.8 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 45.0 m170 -61.43 -39.35 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -43.91 92.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -73.45 -41.6 63.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -120.53 63.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.5 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -77.89 -50.26 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 98' ' ' ALA . 2.5 mt-10 -59.02 -22.03 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.3 mp0 -64.93 -40.03 94.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.93 9.33 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 95' ' ' GLU . . . -119.45 50.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.3 -73.48 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 96' ' ' GLU . 3.2 t -65.96 140.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -114.15 -33.59 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.632 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -169.04 111.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -127.49 131.39 50.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.436 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -72.98 96.39 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.55 ' HA ' HG12 ' A' ' 70' ' ' VAL . 23.0 mt -81.33 126.44 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.36 96.73 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -96.93 109.53 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.48 177.46 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.64 165.09 15.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.1 8.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -21.3 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -97.48 -40.69 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.65 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 29.6 t-105 -55.24 -27.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -63.78 -54.71 30.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.75 -56.02 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -138.73 87.78 14.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.6 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -11.95 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -72.37 119.1 16.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 71' ' ' ALA . 13.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.65 HG13 ' OE2' ' A' ' 96' ' ' GLU . 82.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 3.7 tt0 -46.12 -57.2 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.09 -49.01 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -52.56 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 mt -41.99 -59.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.4 ttt180 -64.18 -62.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -36.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.633 ' CB ' HD21 ' A' ' 93' ' ' LEU . 3.2 mmtt -68.92 -71.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.673 HD11 HG13 ' A' ' 89' ' ' VAL . 50.0 mt -47.09 -25.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 39' ' ' LYS . 10.8 mt-10 -64.41 -40.96 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -104.75 -4.86 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.56 -3.09 29.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -151.04 -46.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 58.67 59.68 5.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.814 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.93 -179.18 4.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -87.42 -21.17 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.524 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.4 t -149.79 106.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -119.63 99.04 6.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.7 mm-40 -107.31 139.6 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.615 HD13 HG23 ' A' ' 70' ' ' VAL . 30.4 tp -152.15 135.87 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' NH1' ' OE2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.532 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 2.7 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.442 ' CD2' ' HB3' ' A' ' 103' ' ' ALA . 9.5 m170 -93.44 126.27 38.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' HB3' HD13 ' A' ' 104' ' ' LEU . 7.2 m-85 -139.09 179.02 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.27 111.19 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.84 146.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.09 99.29 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 46' ' ' PRO . 11.0 p -96.07 139.91 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.489 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 98.8 t -133.34 88.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -136.37 166.6 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 p -83.23 -10.49 58.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -48.45 -43.94 34.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -92.11 46.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.51 81.1 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.79 28.14 36.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.48 171.94 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 166.22 41.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.931 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -26.99 10.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.48 -57.2 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.523 ' O ' HD23 ' A' ' 88' ' ' LEU . 39.1 mt-30 -42.77 -42.32 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 47.4 mtt180 -54.22 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -54.62 -32.28 58.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.584 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -66.72 -41.7 87.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -51.33 -53.71 33.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.673 HG13 HD11 ' A' ' 40' ' ' LEU . 62.6 t -65.98 -51.01 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.497 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 11.3 m170 -51.47 -36.8 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -63.58 -45.23 91.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.722 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -68.22 -43.77 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.722 HD22 ' C ' ' A' ' 92' ' ' ALA . 2.6 mm? -118.17 61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 26.5 t -76.87 -27.82 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -14.47 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.65 ' OE2' HG13 ' A' ' 32' ' ' VAL . 8.1 mm-40 -81.19 -64.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.497 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.8 mm? -55.67 -20.93 15.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.42 66.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.22 -100.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 t -70.17 124.28 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.532 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -110.29 -16.87 13.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . . . -163.21 121.57 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.3 tp -144.18 118.29 9.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.422 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -76.26 95.97 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' ' 70' ' ' VAL . 10.8 mt -80.01 137.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.478 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -111.49 96.18 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.37 109.25 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -131.75 -178.23 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 165.52 18.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.04 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.01 -17.6 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -99.79 -35.93 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.524 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 51.8 t-105 -59.57 -29.44 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -65.51 -40.4 92.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.87 -50.72 72.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -144.43 85.96 8.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.05 0.55 8.79 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -81.01 119.99 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.497 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 27.5 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 36' ' ' ILE . 62.9 t . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.963 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -46.91 -36.69 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.25 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -58.85 -42.73 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.727 HD11 HG12 ' A' ' 32' ' ' VAL . 78.7 mt -54.04 -48.21 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.36 -62.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.11 -36.05 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 35' ' ' ALA . 8.6 mmtm -69.64 -69.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.735 ' CD2' HG13 ' A' ' 89' ' ' VAL . 59.7 mt -48.75 -23.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 7.8 mt-10 -64.63 -42.81 95.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.69 -3.48 23.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.69 -10.38 23.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.6 mt -143.1 -47.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.518 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 13.2 p 63.71 58.27 1.88 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.761 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 -23.4 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.61 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.8 t -145.45 108.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.91 101.57 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 6.1 mm-40 -115.6 127.31 55.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.963 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.6 tt -125.99 142.33 51.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.618 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.88 100.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.631 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' HB2' ' CD1' ' A' ' 104' ' ' LEU . 2.0 m-85 -119.27 177.46 4.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.25 109.44 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.824 ' CG1' HG23 ' A' ' 106' ' ' ILE . 2.5 p -111.72 151.2 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.563 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -130.16 99.62 5.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.761 HG23 ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.94 138.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.6 t -132.7 89.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -136.04 166.62 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.45 -3.22 58.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -38.83 85.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 72' ' ' VAL . 6.8 m-85 -87.59 38.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -85.26 89.08 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.16 -38.32 3.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.498 ' CE ' ' CD1' ' A' ' 88' ' ' LEU . 5.8 mmm -37.4 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.81 158.86 21.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.29 11.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.29 -49.33 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -53.71 -38.83 64.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 44.8 mtt180 -48.69 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -53.02 -41.43 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD1' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -60.91 -39.34 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.735 HG13 ' CD2' ' A' ' 40' ' ' LEU . 6.3 t -76.86 -39.43 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 94' ' ' SER . 11.1 m170 -64.18 -42.94 96.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.28 -48.27 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.453 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -58.29 -48.5 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -114.63 60.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' HIS . 37.3 t -74.99 -17.94 60.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.88 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.96 -58.03 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.586 HD13 HG12 ' A' ' 101' ' ' VAL . 2.3 mm? -57.96 -29.52 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.43 66.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.15 -102.17 0.17 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -74.95 -46.45 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.586 HG12 HD13 ' A' ' 97' ' ' LEU . 71.1 t -86.6 130.56 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -111.84 -50.03 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.94 107.43 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -118.88 121.03 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.633 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -85.43 95.44 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.824 HG23 ' CG1' ' A' ' 70' ' ' VAL . 10.8 mt -87.2 145.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.38 96.5 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.74 109.25 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -134.1 163.18 30.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -98.79 164.61 16.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.39 8.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.25 -20.41 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -95.83 -41.38 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.61 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 53.9 t-105 -54.11 -34.4 60.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -60.36 -50.38 73.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -57.46 12.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -135.03 82.64 42.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.95 -7.8 19.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.93 121.59 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.563 HD11 ' CB ' ' A' ' 71' ' ' ALA . 21.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' HD23 ' A' ' 51' ' ' LEU . 22.4 tt0 -46.82 -53.95 10.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.6 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.58 79.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.3 mt -49.42 -40.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -62.59 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.4 -36.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mmtt -69.03 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.669 HD21 HG13 ' A' ' 89' ' ' VAL . 96.8 mt -49.08 -23.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' LYS . 8.9 mt-10 -65.27 -41.37 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.14 -3.59 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -102.26 -0.14 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -151.56 -46.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.83 57.99 2.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.699 ' CG ' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 173.06 15.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.807 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.12 -18.7 26.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.879 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.2 t -150.09 104.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.76 92.25 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.0 mm-40 -97.86 133.65 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 70' ' ' VAL . 19.2 tp -144.45 138.74 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 6.9 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.13 118.04 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.628 ' HB3' HD13 ' A' ' 104' ' ' LEU . 3.8 m-85 -133.13 175.06 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -151.25 116.74 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.747 ' CG1' HG23 ' A' ' 106' ' ' ILE . 1.2 p -121.0 131.25 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -112.02 99.42 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.67 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.8 p -93.26 141.29 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.3 t -133.61 96.34 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.473 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -147.61 167.45 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -80.12 -16.21 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.62 -36.75 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -97.59 43.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -85.28 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.72 20.09 75.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.505 ' CE ' HD13 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -83.0 161.16 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.39 164.98 9.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.45 2.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.66 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -43.39 -44.63 5.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -47.95 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -58.23 -33.42 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.25 -55.5 33.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.505 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.99 -38.86 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.669 HG13 HD21 ' A' ' 40' ' ' LEU . 71.2 t -79.21 -57.16 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.433 ' O ' ' CA ' ' A' ' 94' ' ' SER . 41.0 m170 -48.53 -28.27 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -46.14 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.91 71.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.26 61.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -80.9 -23.59 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.25 -14.2 47.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -79.43 -35.22 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 101' ' ' VAL . 0.7 OUTLIER -101.85 5.78 41.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.4 36.77 4.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.412 HG11 ' CB ' ' A' ' 104' ' ' LEU . 8.1 t -57.15 130.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.535 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -112.7 -15.39 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.23 99.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -115.47 124.32 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.637 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -84.25 100.3 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.747 HG23 ' CG1' ' A' ' 70' ' ' VAL . 24.8 mt -89.42 143.73 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.72 97.26 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.49 111.98 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.06 -177.07 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -119.08 164.0 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.85 -14.8 14.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.92 -35.87 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.879 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 52.8 t-105 -60.07 -29.01 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -61.91 -50.34 72.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.19 -52.6 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -135.91 85.42 29.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.611 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.782 . . . . 0.0 111.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.25 172.57 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 26.5 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.895 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -40.03 -49.08 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.84 -61.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.48 74.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -49.06 -57.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' GLU . 3.5 ttt180 -62.65 -62.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' CB ' HD21 ' A' ' 93' ' ' LEU . 3.4 mmtm -69.26 -70.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 91.2 mt -48.05 -24.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.6 mt-10 -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -105.05 -2.92 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -96.49 -29.1 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD11 HG22 ' A' ' 89' ' ' VAL . 79.8 mt -125.37 -43.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.52 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.36 58.34 3.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.759 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -75.0 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.14 -22.63 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.53 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 29.7 t -143.72 107.11 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.13 101.99 8.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.0 mm-40 -119.48 125.18 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.895 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.7 tt -123.39 143.11 50.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.625 ' N ' HD23 ' A' ' 51' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 104.3 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.552 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.929 ' HB3' HD13 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -120.38 163.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.76 101.01 3.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.701 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.3 p -104.77 149.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -126.19 99.6 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.759 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.4 p -97.47 140.83 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 95.9 t -135.15 94.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.443 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -140.26 158.7 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.048 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -79.18 3.15 18.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -41.02 92.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 4.6 m-85 -90.45 42.24 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.56 87.5 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.81 -36.1 4.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.435 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.2 mmm -41.73 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.81 161.16 73.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.06 11.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.13 -54.35 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -48.85 -34.7 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mtt180 -53.75 -69.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -48.37 -44.67 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -49.69 -51.05 41.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.435 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.82 -45.96 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.769 HG11 HD13 ' A' ' 106' ' ' ILE . 42.4 t -70.98 -55.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 94' ' ' SER . 12.7 m170 -48.19 -44.28 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.37 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -63.18 -47.16 83.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 39' ' ' LYS . 3.7 mm? -116.4 62.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 39.3 t -67.91 -45.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.49 -39.45 76.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.34 -55.93 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 104' ' ' LEU . 2.3 mm? -68.85 -30.93 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 74.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.84 -94.31 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.2 t -77.25 127.02 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -101.74 -50.78 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.44 104.4 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.929 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -115.42 112.4 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -72.37 98.41 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.769 HD13 HG11 ' A' ' 89' ' ' VAL . 14.9 mt -91.05 145.47 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.604 ' O ' HG12 ' A' ' 72' ' ' VAL . 5.3 tt0 -118.05 97.57 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.09 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -133.3 169.09 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.1 p -109.57 167.7 8.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.75 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -85.49 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.62 ' CZ3' HD21 ' A' ' 120' ' ' LEU . 72.6 t-105 -50.38 -39.05 45.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -54.61 -45.52 73.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -58.23 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.75 83.82 18.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.44 132.15 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.62 HD21 ' CZ3' ' A' ' 114' ' ' TRP . 6.9 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' HD21 ' A' ' 51' ' ' LEU . 10.6 tt0 -48.87 -59.63 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLU . . . -39.72 -53.76 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.73 -55.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' CG1' ' OE2' ' A' ' 96' ' ' GLU . 37.1 mt -41.0 -50.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' GLU . 6.9 ttt180 -72.56 -64.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.04 -33.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.0 mmtt -70.13 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.783 HD21 HG13 ' A' ' 89' ' ' VAL . 46.3 mt -51.29 -22.47 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.2 mt-10 -64.23 -43.77 93.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -104.64 -3.82 23.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -99.71 -4.53 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -150.31 -46.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.504 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.76 59.75 4.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.74 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.02 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.38 -21.57 21.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.917 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.9 t -149.35 103.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.43 86.36 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.0 mm-40 -92.96 140.16 29.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.88 ' HB2' HG23 ' A' ' 70' ' ' VAL . 7.8 tp -151.72 136.06 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.742 ' N ' HD12 ' A' ' 51' ' ' LEU . 28.4 mmt85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.529 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 4.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -77.2 125.42 29.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' HB3' HD13 ' A' ' 104' ' ' LEU . 4.3 m-85 -141.78 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 112.47 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -115.53 148.44 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -131.92 99.76 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.74 HG23 ' HG3' ' A' ' 46' ' ' PRO . 7.6 p -94.98 139.71 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.488 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 95.4 t -133.13 92.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -139.15 165.02 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.7 p -85.37 -1.11 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -42.29 93.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 14.4 m-85 -88.39 39.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.79 106.4 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.28 45.62 92.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -172.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -92.26 166.94 16.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.07 4.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' GLN . 4.1 mm? -70.42 -67.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.0 mt-30 -35.75 -49.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 89.6 mtt180 -46.97 -67.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -56.5 -36.12 68.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -60.02 -42.73 94.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.91 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 40' ' ' LEU . 96.6 t -59.55 -55.66 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.546 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 23.0 m170 -50.85 -46.83 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.83 -37.94 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' A' ' 93' ' ' LEU . . . -80.11 -38.01 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 92' ' ' ALA . 2.4 mm? -113.93 58.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.6 t -75.79 -12.23 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.81 -32.46 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.43 ' OE2' ' CG1' ' A' ' 36' ' ' ILE . 6.2 mm-40 -62.38 -63.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.546 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.3 mm? -55.86 -25.93 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.62 64.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.99 -102.5 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 101' ' ' VAL . 2.2 t -75.46 117.41 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.529 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -111.73 -15.95 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -163.32 101.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -127.28 118.45 24.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.442 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.06 102.19 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.541 ' HA ' HG12 ' A' ' 70' ' ' VAL . 8.8 mt -86.87 137.36 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.54 96.09 5.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.54 110.21 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -132.68 -179.96 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.5 166.0 13.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.07 8.15 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.51 -30.82 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -87.73 -41.09 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.917 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 28.5 t-105 -51.43 -24.62 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -64.39 -50.28 68.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.59 -38.92 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.74 94.98 1.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.595 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.98 -1.61 11.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -91.52 121.32 33.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.486 HD21 ' HB1' ' A' ' 71' ' ' ALA . 9.7 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG13 ' OE1' ' A' ' 96' ' ' GLU . 75.9 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 5.8 tt0 -48.84 -60.48 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.28 -49.19 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -58.36 -55.1 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.4 mt -39.57 -42.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.93 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.81 -35.29 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -69.03 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 89' ' ' VAL . 34.7 mt -49.71 -23.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.03 -41.21 97.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -105.17 -3.22 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.15 -5.47 27.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.6 mt -148.66 -46.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 9.8 p 61.21 57.78 3.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.707 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.03 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.45 -17.52 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.756 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 12.0 t -149.61 107.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -122.37 87.68 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -96.41 143.64 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.884 ' HB2' HG23 ' A' ' 70' ' ' VAL . 43.7 tp -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 71.6 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.408 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.1 m170 -85.36 96.33 9.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.708 ' HB3' HD13 ' A' ' 104' ' ' LEU . 9.2 m-85 -111.45 175.42 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -154.33 109.61 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.884 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -113.16 137.82 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.578 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -118.23 98.89 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.707 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -93.03 135.25 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 82.0 t -130.11 85.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.44 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.08 166.91 20.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.3 p -89.7 -3.39 58.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -28.64 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 15.1 m-85 -97.5 39.67 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.72 94.5 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.31 -40.33 2.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.451 ' CE ' HD13 ' A' ' 88' ' ' LEU . 2.4 mmm -37.96 149.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 0.774 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 82' ' ' PRO . 0.5 OUTLIER -59.24 173.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 81' ' ' SER . 18.3 Cg_endo -75.03 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -70.84 -58.87 3.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -38.7 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 57.9 mtt180 -58.12 -68.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -49.63 -40.61 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.04 -54.73 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.451 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -47.79 -33.16 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.699 HG11 HD13 ' A' ' 106' ' ' ILE . 41.4 t -82.86 -54.84 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' SER . 48.5 m170 -50.64 -41.55 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -45.81 92.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.9 80.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' ' 96' ' ' GLU . 2.8 mm? -116.91 61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -80.04 -40.85 26.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.952 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -14.58 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.501 ' HG3' HD12 ' A' ' 93' ' ' LEU . 7.1 mm-40 -80.48 -35.13 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD21 HD23 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -103.98 7.28 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.58 40.13 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.79 -76.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.1 Cg_endo -75.05 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.17 145.48 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 3.2 m-70 -114.23 -55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -129.44 102.91 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' A' ' 68' ' ' PHE . 2.1 tp -115.17 113.62 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.2 98.57 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.699 HD13 HG11 ' A' ' 89' ' ' VAL . 9.1 mt -84.43 145.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -119.65 96.41 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -92.8 109.9 21.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -135.85 171.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.4 164.63 14.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.556 1.819 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.04 -15.88 14.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -100.89 -36.92 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.756 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 59.6 t-105 -57.5 -31.34 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -63.91 -49.64 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.82 -51.59 66.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -144.87 87.03 7.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.552 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.5 Cg_endo -74.97 -19.91 17.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.92 114.17 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 71' ' ' ALA . 9.3 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 4.9 tt0 -49.95 -54.81 17.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.39 -47.13 26.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.51 HD11 HG21 ' A' ' 101' ' ' VAL . 51.6 mt -41.89 -40.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.44 -60.95 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.98 -33.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.9 mmtt -69.76 -71.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.93 HD11 HG13 ' A' ' 89' ' ' VAL . 28.9 mt -50.1 -23.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.57 -42.23 95.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -104.75 -3.86 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.05 -4.18 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 40' ' ' LEU . 29.5 mt -150.29 -46.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.513 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.73 59.25 4.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.781 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.07 -178.12 3.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 5.2 mm-40 -88.37 -20.33 25.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.804 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.0 t -151.72 102.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -115.78 82.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 12.6 mm-40 -88.12 144.38 26.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.722 ' HB2' HG23 ' A' ' 70' ' ' VAL . 9.7 tp -152.17 135.4 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.651 ' H ' HD12 ' A' ' 51' ' ' LEU . 56.9 mmm-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.073 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.79 126.9 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 30.8 m-85 -146.89 170.16 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.49 111.76 7.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.722 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -112.29 144.7 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.64 99.86 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.781 HG23 ' HG3' ' A' ' 46' ' ' PRO . 12.4 p -94.0 139.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 76.1 t -132.38 86.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.9 165.39 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -84.11 -5.87 59.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.39 -41.88 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -94.46 46.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.83 62.4 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.94 -14.65 12.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 76' ' ' ARG . 16.4 mtp -46.91 173.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.71 162.09 69.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.0 13.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.18 -48.74 8.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' ARG . 64.2 mt-30 -51.35 -50.5 59.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.8 mtt180 -39.18 -63.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.65 -35.23 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLN . 19.8 ttt180 -62.65 -47.6 83.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.49 -52.07 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.93 HG13 HD11 ' A' ' 40' ' ' LEU . 75.8 t -64.82 -58.18 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 22.1 m170 -45.09 -57.79 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -42.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -75.63 -41.89 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.2 mm? -115.88 63.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.6 t -77.31 -40.42 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.81 -30.67 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.546 ' HG3' HD12 ' A' ' 93' ' ' LEU . 7.7 mm-40 -61.77 -58.96 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.431 HD13 HG12 ' A' ' 101' ' ' VAL . 1.5 mm? -60.26 -27.62 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.58 62.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.36 -102.4 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.417 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -75.0 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.51 HG21 HD11 ' A' ' 36' ' ' ILE . 21.4 t -79.96 113.28 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 12.6 m170 -97.22 -35.69 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.31 109.95 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -126.9 124.81 40.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.468 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -79.44 101.12 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.534 ' HA ' HG12 ' A' ' 70' ' ' VAL . 33.2 mt -85.81 141.76 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.541 ' NE2' HD22 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -118.24 98.93 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -98.07 117.08 31.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.62 -174.3 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 p -121.58 163.46 30.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.63 -20.68 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -98.87 -36.3 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.804 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 27.3 t-105 -58.45 -27.53 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.85 -58.18 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -134.49 82.11 46.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.55 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -86.2 121.18 28.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.541 HD22 ' NE2' ' A' ' 107' ' ' GLN . 39.9 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG13 ' OE1' ' A' ' 96' ' ' GLU . 91.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 51' ' ' LEU . 14.4 tt0 -45.28 -56.5 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.11 -50.21 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.35 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -43.83 -39.07 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 15.0 ttp-105 -81.29 -65.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.14 -32.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.5 mmtt -69.47 -71.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 44' ' ' LEU . 61.3 mt -50.04 -23.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.15 -45.79 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -105.29 -3.04 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.59 0.29 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.78 ' CD1' HD22 ' A' ' 40' ' ' LEU . 82.7 mt -152.65 -46.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.531 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 64.12 57.58 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.691 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.03 -23.11 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 45.4 t -147.25 107.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -114.68 94.56 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.0 mm-40 -100.3 131.04 46.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.782 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.2 tp -144.97 134.96 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.782 ' N ' HD12 ' A' ' 51' ' ' LEU . 34.1 mmm-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.8 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.73 115.27 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.724 ' HB3' HD13 ' A' ' 104' ' ' LEU . 5.6 m-85 -130.58 171.24 13.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.53 108.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.652 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.71 144.9 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -130.34 99.96 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 46' ' ' PRO . 11.4 p -96.74 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.7 t -138.18 92.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -142.43 164.54 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -80.23 -19.02 47.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -42.11 -38.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -94.17 44.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 97.28 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.38 24.22 72.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.499 ' CE ' HD13 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -86.13 157.9 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 0.81 . . . . 0.0 111.031 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.71 160.74 7.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.9 -42.54 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.74 -41.46 77.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -51.11 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.09 -30.05 61.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -57.96 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.499 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -44.04 -34.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.617 HG13 HD21 ' A' ' 40' ' ' LEU . 59.0 t -83.21 -57.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.524 ' CD2' HD13 ' A' ' 97' ' ' LEU . 48.4 m170 -47.53 -36.57 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -44.53 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.542 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -70.83 -42.49 70.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.57 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.7 mm? -120.75 63.83 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.6 OUTLIER -81.76 -32.6 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.29 -23.02 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.57 ' HG3' HD12 ' A' ' 93' ' ' LEU . 6.8 mm-40 -71.21 -39.79 71.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.626 HD21 HD23 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -99.67 7.18 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -122.72 43.32 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.6 -78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.4 Cg_endo -74.94 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.1 t -63.91 140.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 29.6 m170 -111.55 -54.03 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.55 103.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.1 tp -116.36 120.35 38.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.445 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.34 99.5 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.559 ' HA ' HG12 ' A' ' 70' ' ' VAL . 9.9 mt -86.33 140.79 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.92 96.29 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.83 114.59 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.11 -179.07 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 p -118.65 164.29 21.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.73 -14.16 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -103.16 -34.98 8.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.561 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 59.1 t-105 -60.67 -35.99 77.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 107.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 15.6 mtp-105 -60.74 -42.14 96.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.42 -51.17 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.09 81.89 15.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -3.16 13.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.426 1.75 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -80.79 120.95 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 25.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.03 137.15 37.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 0.736 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.05 169.86 16.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.48 -60.71 0.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.9 p -43.58 152.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -95.12 105.29 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.76 -157.31 33.5 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.9 143.99 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.02 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.18 -63.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 m 45.24 78.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.66 116.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 t -67.25 120.15 13.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.6 m -89.14 -61.89 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 108.273 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.3 t 62.67 114.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.5 p 179.83 101.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 157.29 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.97 -77.43 0.26 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.3 t -125.26 110.76 14.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.68 129.53 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.97 56.57 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.96 166.04 15.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.786 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.55 147.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 149.82 49.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.78 -172.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -152.53 -167.72 15.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.35 11.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.527 1.803 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -77.26 -60.29 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 28.1 tt0 -50.87 -58.52 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.66 -53.1 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.75 -55.38 26.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.434 HD11 HG21 ' A' ' 101' ' ' VAL . 46.6 mt -42.05 -36.46 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.27 -64.7 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.34 -35.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -69.02 -71.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 89' ' ' VAL . 53.3 mt -48.34 -24.27 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 39' ' ' LYS . 6.0 mt-10 -62.81 -43.65 98.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -104.1 -3.5 24.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.6 -3.64 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 mt -150.69 -46.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.508 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 15.0 p 60.15 59.45 4.23 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.728 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.01 -179.3 4.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -89.4 -20.83 23.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.576 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 15.0 t -150.7 107.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.702 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.84 96.77 5.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 16.7 mm-40 -104.71 140.48 37.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.704 ' HB2' HG23 ' A' ' 70' ' ' VAL . 29.2 tp -150.19 140.38 22.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.26 169.79 22.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -95.11 122.87 38.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -89.65 -64.61 1.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t 38.78 69.89 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.45 118.45 0.83 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.01 -92.16 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.555 ' CD2' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -54.09 -173.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.639 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.49 73.51 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 58' ' ' HIS . 10.2 m -123.08 144.41 43.24 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.29 35.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.449 1.763 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.29 142.75 46.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.4 -27.33 8.53 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.36 111.01 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -110.41 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.5 p -99.79 -39.46 8.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.03 125.28 42.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' LEU . 1.9 m-85 -140.66 161.69 37.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.755 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.28 123.1 21.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -123.14 147.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.55 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -125.06 99.49 6.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.728 HG23 ' HG3' ' A' ' 46' ' ' PRO . 7.5 p -96.54 137.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 85.7 t -130.03 87.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -133.51 163.62 28.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.7 p -81.36 -15.72 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.019 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -46.12 -42.27 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.5 42.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.38 94.93 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.6 41.75 93.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.16 179.43 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.32 159.12 75.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.81 11.43 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.19 -49.06 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -50.55 -48.04 57.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 85.9 mtt180 -45.91 -64.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.04 -45.12 67.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.659 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -50.3 -50.38 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.59 -57.1 5.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 40' ' ' LEU . 48.8 t -62.63 -58.14 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.475 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 13.9 m170 -43.69 -42.03 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.624 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.0 -49.64 76.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.48 -44.87 89.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 2.3 mm? -112.21 59.61 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.16 -34.97 68.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.29 -30.26 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 8.3 mm-40 -63.87 -53.07 56.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.475 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.5 mm? -70.14 -16.94 63.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.39 62.13 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.86 -96.44 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.045 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -59.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 104' ' ' LEU . 6.5 t -74.93 127.79 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -109.9 -26.9 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.552 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -166.14 111.91 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.705 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -130.44 128.94 42.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.755 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.6 99.57 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.705 HG12 HD11 ' A' ' 104' ' ' LEU . 37.8 mt -87.44 126.44 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -96.84 103.34 15.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . . . -100.41 105.72 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -127.03 -176.93 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 164.13 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.86 8.42 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.78 -35.38 7.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -82.7 -42.03 18.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.576 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 63.0 t-105 -50.56 -46.37 57.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.998 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -52.05 -37.34 53.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -54.88 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -133.85 77.49 62.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.528 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.94 0.11 9.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -84.04 117.98 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.55 HD21 ' HB1' ' A' ' 71' ' ' ALA . 9.6 mt -83.53 -176.56 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -154.03 73.17 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 24.9 pt -103.9 -9.55 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.8 153.26 25.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.84 23.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 80.23 2.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.8 t -128.15 58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.55 171.32 7.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.49 83.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.3 m 65.55 170.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.94 -169.36 12.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.43 169.96 6.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.4 p -134.61 167.36 20.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.32 -174.46 13.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -156.58 163.53 39.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.3 -177.9 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -125.93 160.93 28.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.599 1.187 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.6 160.58 33.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.3 169.09 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.93 115.32 12.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.714 HG12 ' HB3' ' A' ' 59' ' ' ALA . 28.8 m -43.45 137.3 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -166.81 126.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 57.62 164.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.48 145.64 16.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t -175.67 169.58 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.43 157.13 4.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.8 154.52 25.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -101.96 140.59 36.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.36 171.97 16.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.15 87.5 2.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.29 -167.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.11 -166.69 21.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.98 10.39 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -79.36 -59.74 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 4.0 tt0 -48.68 -52.28 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.39 -45.25 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.01 75.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 101' ' ' VAL . 24.4 mt -45.63 -35.97 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.08 -34.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.7 mmtt -69.13 -71.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.728 HD11 HG13 ' A' ' 89' ' ' VAL . 92.2 mt -47.97 -25.82 1.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.09 -43.17 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -104.54 -3.59 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.14 -5.4 25.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 40' ' ' LEU . 46.8 mt -150.21 -46.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.82 59.67 4.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.747 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 179.48 6.06 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.75 -20.51 27.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.5 t -150.51 105.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.585 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -117.42 87.06 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 2.7 mm-40 -94.21 139.29 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.674 ' HB2' HG23 ' A' ' 70' ' ' VAL . 31.1 tp -152.34 134.42 14.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -144.71 172.8 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -99.36 121.15 40.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -91.86 -64.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 p 39.43 79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.34 125.95 1.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.73 54.83 0.91 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.662 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -179.32 136.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.604 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB3' HG12 ' A' ' 19' ' ' VAL . . . -73.38 70.57 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.662 HG21 ' CE1' ' A' ' 58' ' ' HIS . 4.2 m -119.14 157.14 51.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.5 14.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.782 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.54 175.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.4 55.9 2.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 p -103.25 126.13 50.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -120.42 55.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 101' ' ' VAL . 21.6 p -99.92 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.47 139.2 40.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 5.5 m-85 -152.53 163.14 40.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -137.61 118.98 14.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -119.39 148.07 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.556 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -128.54 99.64 5.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.747 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.9 p -96.42 140.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.1 t -133.81 86.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -133.54 163.67 28.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -83.11 -5.96 59.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -39.52 69.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 12.0 m-85 -89.02 38.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 92.9 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.3 34.24 89.42 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.16 174.25 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.5 m -69.88 155.33 93.67 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.16 11.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.6 mt -82.57 -46.16 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.85 -51.53 65.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.56 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 76.9 mtt180 -40.31 -62.35 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -57.93 -42.27 84.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.641 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -46.75 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -45.12 69.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.728 HG13 HD11 ' A' ' 40' ' ' LEU . 75.3 t -71.59 -50.68 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.456 ' CD2' HD13 ' A' ' 97' ' ' LEU . 51.7 m170 -52.82 -45.25 67.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -45.45 72.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.435 ' O ' HD13 ' A' ' 93' ' ' LEU . . . -73.03 -41.78 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.688 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.1 mm? -112.43 61.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -83.11 -32.56 26.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.64 -11.48 59.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' VAL . 40.6 mm-40 -82.3 -37.45 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.635 HD21 HD23 ' A' ' 104' ' ' LEU . 1.2 mt -99.54 4.22 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.15 39.87 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.81 -75.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 36' ' ' ILE . 4.6 t -60.0 137.13 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -112.04 -26.15 9.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -174.07 115.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.635 HD23 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -130.6 135.14 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.552 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -80.2 100.92 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.635 HD13 HG11 ' A' ' 89' ' ' VAL . 20.7 mt -85.14 137.6 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.525 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -108.44 96.52 6.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.18 101.45 13.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -126.69 173.07 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.71 165.27 13.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.57 8.72 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.62 -29.43 10.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -88.13 -44.92 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.598 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 60.5 t-105 -48.65 -35.85 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 108.03 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -58.89 -49.33 78.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.18 -56.39 21.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.44 85.7 17.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.598 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -15.33 20.76 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.69 119.37 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.556 HD11 ' CB ' ' A' ' 71' ' ' ALA . 17.9 mt -83.06 177.65 8.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.85 64.7 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.82 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.9 m -70.18 151.77 95.85 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 153.48 41.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.19 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.21 120.73 37.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.1 mt 61.41 58.23 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 t 61.2 145.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -156.04 138.71 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.11 112.84 3.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -91.75 149.77 21.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 0.812 . . . . 0.0 109.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.0 p -153.33 88.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.07 -75.68 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.3 ttt 56.32 94.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.38 152.71 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 m -44.08 135.83 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 144.58 25.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.43 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.957 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 57.92 77.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 20' ' ' SER . 17.6 m -128.63 -48.94 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 19' ' ' VAL . 94.5 p 40.12 89.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -148.94 116.06 6.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.47 117.97 1.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -172.93 86.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.92 78.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.88 -86.94 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -136.2 -56.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . -166.46 -54.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 27' ' ' ALA . . . 172.95 168.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.14 -175.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -161.7 -164.13 15.99 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.49 10.86 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -77.24 -60.93 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 7.7 tt0 -49.22 -58.01 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.0 -51.15 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.18 37.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.6 mt -40.34 -45.41 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' NE ' ' CD ' ' A' ' 41' ' ' GLU . 3.7 ttp180 -74.11 -63.85 1.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.3 -36.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.6 mmtt -68.68 -71.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.604 HD11 HG13 ' A' ' 89' ' ' VAL . 82.9 mt -48.05 -25.26 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' CD ' ' NE ' ' A' ' 37' ' ' ARG . 19.6 mt-10 -62.97 -42.03 99.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -104.81 -3.72 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.88 -7.35 27.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.2 mt -147.34 -46.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.515 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.6 59.11 3.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.717 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.03 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.16 -20.36 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.689 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.2 t -150.6 104.81 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.548 HD12 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -115.28 87.61 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 7.6 mm-40 -92.91 140.86 29.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 52' ' ' ARG . 3.8 tp -149.29 131.9 15.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.719 ' N ' HD12 ' A' ' 51' ' ' LEU . 25.1 mmm-85 -149.52 174.98 11.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -114.26 136.84 52.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 55' ' ' SER . 6.1 mm-40 -105.79 -61.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 34.6 t 38.17 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.14 -61.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -37.39 -76.79 0.06 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.677 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -46.65 152.94 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.576 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.56 60.98 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.677 HG21 ' CE1' ' A' ' 58' ' ' HIS . 29.2 m -115.23 154.07 47.39 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 177.03 9.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.27 150.3 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.2 49.03 5.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -124.4 123.63 40.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -114.36 55.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.2 p -112.45 -42.87 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.435 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 5.9 m170 -94.47 112.07 23.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.65 ' HB3' HD13 ' A' ' 104' ' ' LEU . 6.4 m-85 -126.62 175.19 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.598 ' HG2' HG22 ' A' ' 122' ' ' ILE . 0.1 OUTLIER -152.46 114.23 4.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.658 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -118.09 141.93 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -123.26 99.87 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.717 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.3 p -94.41 143.41 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 87.7 t -134.74 86.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -132.22 163.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.0 p -84.62 -8.0 59.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 5.0 mmp_? -54.79 -37.8 66.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.9 39.98 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.09 80.15 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.72 30.94 25.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.505 ' HE1' HD11 ' A' ' 88' ' ' LEU . 7.6 mtp -91.66 162.3 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 0.725 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.5 m -66.19 159.47 71.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -24.45 12.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.7 mt -83.71 -44.28 14.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -60.21 -49.83 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -44.39 -62.82 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -60.95 -35.2 76.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.591 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.85 -45.01 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.505 HD11 ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -50.14 -52.62 33.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.604 HG13 HD11 ' A' ' 40' ' ' LEU . 22.4 t -65.0 -56.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 57.5 m170 -46.86 -42.77 17.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.29 -39.35 75.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.545 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -77.25 -41.53 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.3 mm? -118.68 64.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.6 OUTLIER -83.09 -32.05 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -14.39 59.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 93' ' ' LEU . 5.8 mm-40 -77.63 -30.57 52.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.483 HD21 HD23 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -105.36 7.96 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.1 62.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.03 -70.34 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.5 t -81.91 151.46 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 2.0 m-70 -126.97 -51.59 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . . . -126.38 101.13 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.3 tp -117.19 112.65 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.597 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.4 99.89 3.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.658 HG23 ' CG1' ' A' ' 70' ' ' VAL . 27.1 mt -89.44 142.91 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.73 96.48 5.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -90.84 105.69 18.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -131.06 169.22 16.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.3 164.81 14.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.48 8.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.59 -14.6 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -103.89 -34.31 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.689 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 34.9 t-105 -63.13 -28.6 70.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 107.987 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -66.25 -50.98 61.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.05 -43.29 81.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -147.84 84.25 7.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 -1.13 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.0 124.45 29.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 13.1 mt -88.14 -175.89 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -146.01 58.3 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.598 HG22 ' HG2' ' A' ' 69' ' ' ARG . 11.3 pt -90.0 -29.16 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.5 p -159.54 147.18 13.09 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 18.3 Cg_endo -75.01 132.79 15.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.4 Cg_endo -75.0 -178.55 4.24 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.523 1.801 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 57.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.259 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.95 -177.84 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -155.77 -59.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 109.978 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.73 160.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.95 132.27 2.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -169.08 126.17 0.95 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.767 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.04 154.25 50.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.16 54.71 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 mtm -131.69 152.55 50.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HB1' HD11 ' A' ' 83' ' ' LEU . . . -163.85 109.74 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.9 t -52.73 144.91 13.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.36 159.82 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 p -59.7 141.38 55.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.18 119.76 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.9 m -73.0 77.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.61 118.46 1.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.966 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.29 168.28 26.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.34 125.4 0.59 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 73.4 m -127.59 122.77 34.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 23' ' ' SER . . . 178.49 127.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -177.65 150.63 10.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.3 t 179.6 91.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 110.002 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -167.21 179.7 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.73 155.75 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.86 -171.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.16 -166.78 12.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -28.16 9.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 76.1 t -76.35 -61.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 6.1 tt0 -47.76 -58.46 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.92 -48.72 5.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -57.88 -54.47 46.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 22.2 mt -39.72 -41.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG3' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -84.35 -61.13 1.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.8 mmtt -68.24 -71.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.807 HD11 HG13 ' A' ' 89' ' ' VAL . 64.6 mt -45.69 -28.86 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.461 ' HG3' HD13 ' A' ' 49' ' ' LEU . 15.3 mt-10 -60.69 -41.28 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 39' ' ' LYS . 12.3 pt20 -104.79 -3.11 23.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.645 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.2 -33.96 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.644 ' CD1' HD22 ' A' ' 40' ' ' LEU . 39.7 mt -121.78 -40.7 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.519 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 56.63 58.76 8.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.829 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.2 Cg_endo -75.03 -176.81 3.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.546 1.814 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -88.85 -20.65 24.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.695 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -149.83 103.75 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -114.34 83.6 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.6 mm-40 -90.35 138.72 31.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.72 HD13 HG23 ' A' ' 70' ' ' VAL . 24.8 tp -151.14 135.61 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.14 165.39 29.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -91.28 117.6 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.64 -36.46 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -39.63 106.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 162.55 102.43 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.536 1.148 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 133.04 -57.99 0.7 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.686 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -48.96 154.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.63 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.14 78.8 5.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' A' ' 58' ' ' HIS . 6.2 m -139.11 158.48 69.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.03 19.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -41.83 153.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.2 24.98 53.34 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.434 1.084 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -94.66 110.29 22.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.43 56.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.7 p -111.45 -10.82 14.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -118.46 129.0 55.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.588 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 16.1 m-85 -153.57 165.58 35.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.517 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -141.82 117.59 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.72 HG23 HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -116.06 147.33 19.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -128.75 99.58 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.829 HG23 ' HG3' ' A' ' 46' ' ' PRO . 13.2 p -94.67 136.4 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 86.8 t -130.38 86.27 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.49 165.16 24.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.9 p -88.02 1.95 52.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.8 -41.09 97.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 10.7 m-85 -87.12 38.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.71 75.16 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.38 27.12 8.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.0 mtt -96.16 157.11 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.44 170.9 6.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -30.24 7.37 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.476 HD11 ' HB1' ' A' ' 14' ' ' ALA . 4.5 tt -76.64 -54.39 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -46.26 -54.76 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 82.2 mtt180 -43.24 -65.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -52.77 -54.61 31.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -43.61 18.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.807 HG13 HD11 ' A' ' 40' ' ' LEU . 65.5 t -72.77 -55.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 97' ' ' LEU . 63.2 m170 -47.62 -37.03 11.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -46.59 89.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' HB3' HD22 ' A' ' 93' ' ' LEU . . . -74.2 -40.02 62.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.699 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.3 mm? -109.53 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.3 p -75.6 -48.18 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.54 -13.42 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -78.57 -44.31 24.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.741 HD21 HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -97.02 4.42 51.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -119.02 40.02 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.66 -82.51 0.06 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.534 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -74.96 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -60.37 137.4 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 39.5 m170 -114.2 -37.19 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.39 120.68 7.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.741 HD23 HD21 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -138.34 130.21 28.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.547 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -82.49 100.23 9.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.55 HG23 ' CG1' ' A' ' 70' ' ' VAL . 16.8 mt -86.51 129.78 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.494 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -102.26 100.79 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.48 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -130.71 172.47 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.47 166.66 10.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -0.07 9.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.69 -28.08 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -89.96 -40.53 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.695 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 69.8 t-105 -52.09 -37.28 53.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 16.4 mtp-105 -57.14 -51.96 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.91 -55.76 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -140.2 86.12 13.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.566 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.95 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -84.38 119.99 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.549 HD21 ' HB1' ' A' ' 71' ' ' ALA . 16.5 mt -82.68 -179.09 7.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.61 99.59 4.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.73 -75.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.7 p -126.85 144.35 49.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 125.67 9.45 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.523 1.802 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.48 2.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 84.4 m -139.06 86.03 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.78 -60.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.014 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 142.11 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 t -147.71 91.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.98 75.87 0.1 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 133.87 6.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 0.795 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -155.88 98.69 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.0 76.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.66 114.08 25.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.739 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.95 146.67 27.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.4 m -140.19 133.6 29.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.58 161.03 23.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 p -169.61 131.88 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 t -117.93 113.48 21.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.278 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 19' ' ' VAL . 20.6 m -119.6 71.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.53 -54.9 3.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 174.75 169.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -174.81 134.6 2.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.52 -60.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.2 139.99 58.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.71 164.9 11.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.65 121.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -150.82 174.87 12.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -125.56 175.76 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.23 -172.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.73 -167.7 27.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -18.81 18.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.5 t -77.79 -65.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.905 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -48.15 -46.26 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -48.6 -54.36 14.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -60.24 -46.2 90.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.24 -38.8 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.64 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.5 -33.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtp -68.93 -71.14 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.852 HD11 HG13 ' A' ' 89' ' ' VAL . 51.4 mt -48.33 -24.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 39' ' ' LYS . 4.2 mt-10 -63.8 -42.13 97.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -104.59 -5.45 21.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -96.37 -25.83 15.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD12 HD22 ' A' ' 40' ' ' LEU . 94.3 mt -129.98 -45.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.514 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.29 59.1 3.29 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 0.0 110.041 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.794 ' CD ' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.96 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -86.16 -20.49 28.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.785 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.8 t -149.41 107.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.794 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -120.91 104.41 9.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.31 150.7 39.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.905 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -144.44 148.82 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.617 ' H ' HD23 ' A' ' 51' ' ' LEU . 1.1 tpt180 -163.91 160.23 21.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -96.19 157.68 15.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -127.0 -56.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.89 -57.94 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.54 -79.25 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 163.47 40.93 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.587 ' CD2' HG22 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -75.91 -178.08 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.42 88.38 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.587 HG22 ' CD2' ' A' ' 58' ' ' HIS . 6.6 m -140.53 159.09 64.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 136.95 21.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -39.58 134.11 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.4 58.21 2.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.77 139.95 50.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.87 50.37 1.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 82.1 p -88.97 -77.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.414 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.2 t-80 -54.19 101.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -121.74 159.09 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -133.11 121.15 22.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -123.92 140.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -118.57 99.73 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.721 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -95.78 139.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 93.3 t -132.6 88.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -135.14 165.7 24.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.6 p -86.62 -5.42 59.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -55.43 -35.69 65.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -94.46 42.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 83.45 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.1 -25.48 28.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.6 166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.25 168.6 26.16 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.95 10.51 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.3 tp -80.8 -51.17 8.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -48.59 -38.89 21.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.6 mtt180 -52.95 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.566 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 12.1 m170 -56.73 -31.75 64.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -66.45 -38.65 87.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -54.55 -48.44 72.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.852 HG13 HD11 ' A' ' 40' ' ' LEU . 61.3 t -70.24 -40.22 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 86' ' ' HIS . 41.3 m170 -61.53 -38.01 85.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -47.42 85.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.86 -38.48 57.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.447 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.7 mm? -114.38 60.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.8 OUTLIER -80.98 -28.35 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -83.69 -11.49 57.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 93' ' ' LEU . 73.7 mm-40 -79.5 -38.04 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' CD1' ' CD2' ' A' ' 90' ' ' HIS . 1.2 mt -99.47 3.5 45.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.63 39.26 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.46 -77.84 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.3 Cg_endo -74.99 -79.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.413 HG12 HD23 ' A' ' 97' ' ' LEU . 14.3 t -58.51 142.17 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 34.7 m170 -115.12 -37.46 4.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -162.99 108.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.804 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -123.34 133.22 54.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.45 101.33 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.804 HG12 HD11 ' A' ' 104' ' ' LEU . 31.8 mt -89.48 121.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.415 HE21 HD23 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -93.14 96.87 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.07 108.69 20.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -133.93 156.63 47.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.75 165.09 21.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 1.19 7.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.88 -24.46 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.58 -42.76 9.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.785 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 42.0 t-105 -52.11 -27.97 16.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -65.61 -46.11 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.55 -52.93 63.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -139.54 80.98 20.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.552 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -2.08 12.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -81.86 118.17 22.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.7 mt -83.05 177.47 8.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -137.62 91.04 2.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.3 mt -94.02 -53.96 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.15 137.82 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.02 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 125.53 9.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -178.66 4.33 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.78 147.29 22.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.305 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 125.02 24.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.72 166.46 13.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 -50.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.57 -139.69 32.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.72 164.23 27.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.767 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 t -126.06 151.87 46.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.36 105.55 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.36 145.22 39.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.41 -63.43 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 m 51.94 96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -179.27 162.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 m 55.72 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 t -134.66 74.59 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.86 163.02 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.9 m -143.08 150.37 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 -57.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.56 -173.62 15.17 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.75 168.93 20.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -138.57 97.08 3.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.93 67.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -136.62 154.15 50.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.41 -80.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.66 71.3 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 54.91 -155.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.55 -170.45 22.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -25.68 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.25 -63.37 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 43.7 tt0 -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.24 -48.35 68.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.97 -47.37 80.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 101' ' ' VAL . 50.3 mt -48.5 -42.7 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -80.9 -64.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.24 -35.08 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.1 mmtp -69.44 -68.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.713 HD21 HG13 ' A' ' 89' ' ' VAL . 44.6 mt -51.29 -22.49 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.5 -41.85 92.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -104.83 -3.69 23.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -103.24 -2.54 27.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 40' ' ' LEU . 51.1 mt -150.77 -46.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.99 60.03 4.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.736 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -178.56 4.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.19 -20.93 22.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.594 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.1 t -150.85 105.91 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.69 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.69 89.76 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -99.84 132.65 45.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.671 HD13 HG23 ' A' ' 70' ' ' VAL . 14.7 tp -139.75 136.7 34.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.584 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -139.31 166.53 24.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -103.98 135.88 44.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -119.98 -49.26 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 t -47.1 146.84 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.32 65.06 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.35 75.91 0.26 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.71 ' CD2' HG21 ' A' ' 60' ' ' VAL . 2.9 p80 -174.29 65.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 52.64 41.6 31.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.71 HG21 ' CD2' ' A' ' 58' ' ' HIS . 25.7 m -132.16 154.05 81.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 168.15 25.41 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.18 166.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.35 37.86 25.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.6 108.03 17.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.764 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -116.91 44.76 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 81.2 p -87.35 -75.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.7 t-160 -55.72 136.81 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.404 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.5 m-85 -159.48 157.98 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.5 ttt180 -133.97 119.82 19.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG23 HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -120.02 146.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.22 100.03 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.736 HG23 ' HG3' ' A' ' 46' ' ' PRO . 14.4 p -98.74 140.62 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 85.0 t -130.5 88.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -134.25 160.61 37.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.1 p -82.19 -6.98 59.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.04 -37.36 66.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 18.2 m-85 -89.67 39.23 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.0 104.19 10.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.44 45.28 96.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.66 169.29 8.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.68 167.43 36.77 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.53 7.09 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.5 tp -75.39 -54.15 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -46.09 -54.94 7.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.486 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 90.2 mtt180 -45.03 -68.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -50.43 -45.6 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -49.42 -50.12 42.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -54.39 19.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 HD21 ' A' ' 40' ' ' LEU . 69.6 t -63.6 -52.95 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 9.9 m170 -48.78 -45.64 40.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.592 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.04 -47.35 81.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -65.59 -44.73 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.534 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -113.37 60.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER -72.77 -47.43 46.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -22.21 48.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 96' ' ' GLU . 2.4 mp0 -69.87 -58.49 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.45 -14.86 63.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.72 63.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.37 -96.13 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -65.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.47 1.774 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.524 HG21 HD11 ' A' ' 36' ' ' ILE . 31.9 t -69.2 133.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -109.01 -37.67 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.7 129.41 5.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.464 HD11 HG12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -148.11 130.43 15.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.64 96.86 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.548 ' HA ' HG12 ' A' ' 70' ' ' VAL . 8.4 mt -80.8 122.36 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' NE2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -98.17 100.66 11.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -100.81 111.96 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -133.26 174.24 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -110.33 164.74 14.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.84 8.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.48 -25.19 11.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.614 ' CZ2' ' O ' ' A' ' 118' ' ' PRO . 28.1 t-105 -54.89 -22.73 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 107.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -65.96 -49.25 68.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.13 -49.82 76.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -136.76 85.38 24.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.614 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.01 1.84 7.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.451 1.764 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.82 173.04 12.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.583 HD23 ' NE2' ' A' ' 107' ' ' GLN . 17.4 mt -142.95 178.07 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -121.49 88.3 2.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 50.9 mm -93.84 -59.61 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.2 p -162.7 111.04 1.07 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 18.2 Cg_endo -75.03 152.35 40.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.2 Cg_endo -74.99 162.53 37.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.04 123.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.275 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 3.1 mp -121.25 139.03 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 67.15 128.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 149.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.2 173.4 46.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.9 t -163.83 156.82 18.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.05 167.61 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.1 -116.81 0.7 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.3 mpp? 60.8 133.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.21 105.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.5 p -85.31 -176.59 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -122.39 170.71 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -178.05 -53.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -46.96 144.56 2.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -154.72 154.74 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -99.58 161.83 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.3 157.57 20.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.25 -174.18 31.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.67 167.55 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.14 89.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 150.98 149.07 4.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -87.51 100.76 13.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -170.44 -61.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.68 72.26 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.709 ' HB1' ' OE1' ' A' ' 33' ' ' GLU . . . -177.04 -169.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.0 -172.16 23.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.22 11.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 111.056 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -72.35 -58.0 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.758 ' HG2' HD13 ' A' ' 51' ' ' LEU . 1.2 tm-20 -50.36 -43.47 54.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.58 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.64 74.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.8 mt -48.43 -53.56 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.6 ttt180 -66.85 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.22 -37.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' CB ' HD21 ' A' ' 93' ' ' LEU . 5.1 mmtt -69.37 -70.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 HG13 ' A' ' 89' ' ' VAL . 96.9 mt -48.36 -23.94 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 37' ' ' ARG . 18.2 mt-10 -64.63 -42.56 95.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -105.14 -2.82 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.19 -17.79 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' CD1' HD22 ' A' ' 40' ' ' LEU . 77.1 mt -135.0 -46.0 0.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 63.52 57.69 1.96 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.687 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.08 179.76 5.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' VAL . 2.6 mm-40 -96.35 -18.71 19.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.715 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 45.3 t -146.87 107.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -119.33 109.74 16.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' ALA . 12.1 mm-40 -125.61 132.33 52.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.4 tt -131.44 146.45 52.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.655 ' HD2' HG21 ' A' ' 122' ' ' ILE . 0.0 OUTLIER -150.7 138.61 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -86.21 99.93 11.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.18 -70.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.534 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 5.2 t 42.79 91.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.88 130.54 1.29 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.14 -57.73 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -45.1 160.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 109.598 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.74 58.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 58' ' ' HIS . 24.3 m -107.61 157.68 35.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.03 140.12 25.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' PRO . . . -40.3 144.26 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.74 52.16 8.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 142.76 49.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.782 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 65' ' ' GLU . 7.6 mp0 -123.38 53.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 67' ' ' HIS . 58.5 p -95.47 -72.17 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -57.12 113.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 0.0 109.588 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.862 ' HB3' HD13 ' A' ' 104' ' ' LEU . 1.5 m-85 -132.05 171.55 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' NH2' ' CB ' ' A' ' 105' ' ' ALA . 1.9 ttm-85 -150.48 110.22 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.676 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.4 p -115.38 154.81 16.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -131.79 99.6 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.687 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -96.63 139.89 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 46' ' ' PRO . 84.2 t -132.56 100.98 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.475 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -151.11 168.8 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.4 p -82.14 -3.94 55.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -33.07 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 72' ' ' VAL . 10.4 m-85 -100.79 46.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 94.1 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.94 37.04 91.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.508 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.6 mtm -100.59 160.88 13.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.0 157.64 10.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -28.28 9.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.6 mt -84.61 -34.42 23.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -66.78 -39.75 87.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -51.98 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -55.0 -41.93 71.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.57 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -51.41 -55.35 19.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.98 -41.69 5.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.744 HG11 HD13 ' A' ' 106' ' ' ILE . 53.2 t -74.47 -58.46 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.523 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 16.2 m170 -46.82 -35.64 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -45.43 93.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.64 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -72.95 -37.63 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.897 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.6 mm? -118.59 60.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.3 t -71.97 -51.86 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -55.43 -25.89 38.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.897 ' HG3' HD12 ' A' ' 93' ' ' LEU . 6.6 mm-40 -70.49 -53.56 15.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 1.5 mm? -73.7 -15.52 61.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -119.99 72.03 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.6 -93.07 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 t -79.3 128.93 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -106.21 -42.63 5.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.602 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.79 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.862 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -115.61 118.64 33.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.668 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.31 99.24 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.744 HD13 HG11 ' A' ' 89' ' ' VAL . 26.2 mt -92.15 140.8 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' CE ' ' A' ' 109' ' ' LYS . 22.4 tt0 -116.62 96.19 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.496 ' HB1' ' CG ' ' A' ' 77' ' ' PHE . . . -89.79 109.32 20.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' CE ' ' CG ' ' A' ' 107' ' ' GLN . 6.3 mttt -126.0 170.61 11.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' ' 111' ' ' PRO . 68.2 p -103.7 163.28 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 110' ' ' THR . 18.4 Cg_endo -74.97 1.71 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -29.94 8.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 116' ' ' GLU . 4.5 mt-30 -85.15 -43.75 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.715 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 71.2 t-105 -43.83 -35.66 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -58.49 -47.47 83.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 113' ' ' GLN . 4.4 mm-40 -50.81 -58.68 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -141.18 85.17 12.22 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.04 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 127.35 33.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.579 HD21 ' CH2' ' A' ' 114' ' ' TRP . 8.7 mt -83.07 177.81 8.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -141.46 77.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.655 HG21 ' HD2' ' A' ' 52' ' ' ARG . 80.6 mt -88.9 -48.75 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.6 p -91.06 148.96 39.13 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.81 19.59 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 95.2 m 60.21 68.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.93 137.25 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -174.89 95.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m 63.84 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.948 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.74 89.48 0.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.86 152.2 40.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -42.72 132.72 3.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.17 -72.91 0.72 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.1 tpp 57.78 107.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.6 71.23 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 15' ' ' THR . 14.9 t -102.13 109.75 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.72 147.77 45.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.59 81.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 t -104.01 -69.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 19' ' ' VAL . 67.4 t 56.89 77.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -159.14 144.64 16.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 160.89 8.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.19 84.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.046 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -148.71 146.37 28.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -160.67 -62.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 164.22 -78.3 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.53 146.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -161.56 165.61 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.37 165.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -177.8 -175.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.77 167.33 34.14 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.108 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -23.87 13.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' OE1' ' A' ' 96' ' ' GLU . 71.4 t -81.78 -63.37 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 20.6 tt0 -45.56 -48.52 14.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.54 -51.8 61.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.95 -47.37 68.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.513 HD11 HG21 ' A' ' 101' ' ' VAL . 44.5 mt -50.7 -36.27 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -86.41 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -39.75 -34.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.6 mmtt -68.66 -71.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.806 ' HG ' HD21 ' A' ' 93' ' ' LEU . 86.8 mt -47.73 -25.35 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.6 mt-10 -62.51 -42.02 99.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.286 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -104.97 -3.47 23.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -95.73 -35.93 11.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 93.5 mt -119.5 -42.66 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.525 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.44 58.47 4.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.855 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -75.03 -177.75 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -94.04 -20.74 19.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.789 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 13.8 t -147.5 100.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.716 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -112.58 92.32 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.3 mm-40 -97.54 138.42 34.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.3 tp -150.04 132.54 15.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.706 ' N ' HD12 ' A' ' 51' ' ' LEU . 83.5 mmt-85 -150.22 172.02 16.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.483 ' ND2' ' CE1' ' A' ' 68' ' ' PHE . 1.3 m120 -98.1 136.8 37.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -104.54 -60.87 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.7 m 39.6 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.58 -127.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.33 14.76 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.529 ' CD2' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -51.94 -177.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.587 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.47 79.05 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.529 HG22 ' CD2' ' A' ' 58' ' ' HIS . 4.5 m -131.65 155.09 81.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.39 31.37 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.13 155.24 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 55.44 53.16 42.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -90.89 106.33 18.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.974 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -110.62 57.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 101' ' ' VAL . 41.3 p -105.07 -57.65 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -78.07 110.1 12.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.592 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.483 ' CE1' ' ND2' ' A' ' 53' ' ' ASN . 6.0 m-85 -126.18 149.81 48.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -123.06 118.91 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -119.32 150.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -132.25 99.78 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.855 HG23 ' HG3' ' A' ' 46' ' ' PRO . 14.5 p -95.4 136.85 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 94.1 t -129.74 90.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.447 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.16 159.95 40.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 p -81.25 -9.5 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.075 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.68 -42.82 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.0 m-85 -88.03 41.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.62 74.41 4.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 106.13 -26.47 20.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 88' ' ' LEU . 79.6 mtp -40.54 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.8 m -64.15 156.61 74.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.13 13.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.2 mt -83.89 -44.64 14.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.31 -47.6 83.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 59.2 mtt180 -38.86 -57.49 1.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -56.49 -49.46 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.625 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.7 ttp85 -45.7 -49.04 15.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.319 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.425 HD13 ' HE1' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.69 -46.95 70.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 85' ' ' ARG . 2.5 t -68.4 -51.34 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' SER . 61.6 m170 -49.97 -47.26 52.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.573 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -47.4 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.96 -42.42 80.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.806 HD21 ' HG ' ' A' ' 40' ' ' LEU . 1.5 mm? -112.29 60.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 1.5 t -80.55 -41.58 23.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.27 -16.44 62.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' OE1' HG13 ' A' ' 32' ' ' VAL . 34.8 mm-40 -75.66 -45.5 36.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.816 HD21 HD23 ' A' ' 104' ' ' LEU . 1.5 mt -93.92 1.61 56.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -117.28 42.08 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.17 -80.64 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 36' ' ' ILE . 3.9 t -61.79 144.1 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -114.5 -46.96 2.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.647 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.92 114.78 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.816 HD23 HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -129.68 126.57 38.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.11 105.46 8.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.754 HG12 HD11 ' A' ' 104' ' ' LEU . 8.4 mt -87.86 134.48 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.7 96.65 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 107.81 19.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -132.91 159.2 40.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.41 165.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.59 8.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -105.6 -20.3 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -97.36 -41.13 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.789 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 26.1 t-105 -55.75 -31.14 62.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 107.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.56 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.46 -54.63 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -137.59 85.14 21.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.496 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.02 -16.84 19.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.91 123.97 20.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 21.3 mt -92.62 -177.49 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -125.07 85.6 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.7 mm -92.79 -66.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -61.21 138.12 94.42 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.47 17.82 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 89.4 m 64.88 145.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -66.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.6 m 60.9 87.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.45 112.68 25.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.79 -157.0 10.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 p -173.59 -58.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -143.73 156.5 44.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.11 -153.78 9.64 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.2 mtt -135.01 87.98 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.04 92.18 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 t -143.77 160.33 40.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.78 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.3 p -156.19 91.98 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.5 t -141.81 -60.06 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.337 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 m -109.67 166.97 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.1 p -162.96 145.93 10.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -131.99 -54.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.87 -107.63 2.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.62 169.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 57.68 172.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.04 -74.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.58 96.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.14 156.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.88 91.31 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 53.61 -172.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.74 -158.63 21.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.59 9.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.2 t -72.94 -65.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.937 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -44.97 -46.49 11.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -44.53 -63.82 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.81 -49.14 59.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.13 -58.16 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -63.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.14 -37.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.7 mmtt -69.14 -70.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD11 HG13 ' A' ' 89' ' ' VAL . 76.7 mt -47.9 -24.86 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 39' ' ' LYS . 11.4 mt-10 -62.34 -44.48 96.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -104.6 -3.29 23.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -99.33 -8.15 25.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.7 mt -145.14 -47.21 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.92 59.19 2.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.027 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.743 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -100.18 -23.06 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.586 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.4 t -145.75 106.79 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.27 106.45 13.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.2 mm-40 -120.3 124.56 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.937 HD13 ' HG2' ' A' ' 33' ' ' GLU . 2.0 tt -125.58 142.86 51.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.639 ' N ' HD23 ' A' ' 51' ' ' LEU . 20.5 mmm-85 -146.74 159.55 43.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -89.61 115.26 26.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG2' ' NH1' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -79.92 -58.1 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 11.8 p -38.95 125.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.78 53.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.597 ' C ' ' CD2' ' A' ' 58' ' ' HIS . . . 152.07 -121.7 1.23 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.65 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER 45.62 -168.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.634 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.95 48.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 57' ' ' GLY . 15.6 m -118.06 155.2 51.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.92 22.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 135.97 14.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.83 52.14 3.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.96 143.21 47.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.44 62.25 1.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.7 p -104.62 -46.11 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -90.81 114.57 27.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.597 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.0 m-85 -126.53 168.44 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.655 ' HD2' HD13 ' A' ' 122' ' ' ILE . 0.0 OUTLIER -148.54 124.88 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.605 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.5 p -129.19 153.48 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.532 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -130.05 99.62 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.81 135.81 27.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.474 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.6 t -126.74 91.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -137.09 165.45 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.34 -12.4 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.31 -40.56 49.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.7 m-85 -89.79 41.76 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.7 82.6 8.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -32.3 7.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.442 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 4.6 mmm -38.95 155.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.7 167.56 3.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -73.82 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -39.99 -40.13 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 60.2 mtt180 -52.7 -68.94 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.81 -47.79 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.625 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -46.49 -51.05 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -40.61 60.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.854 HG11 HD13 ' A' ' 106' ' ' ILE . 85.3 t -74.57 -52.63 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.505 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 11.0 m170 -51.88 -47.89 64.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.94 -45.53 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.454 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -63.67 -42.11 98.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.529 HD23 HD21 ' A' ' 40' ' ' LEU . 3.3 mm? -118.63 60.67 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.5 OUTLIER -68.44 -49.1 62.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -38.19 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.02 -61.21 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.505 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 1.8 mm? -61.15 -25.52 67.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.68 64.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.94 -101.76 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -49.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.529 1.804 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.3 t -76.11 125.17 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -105.8 -44.0 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.75 97.49 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -106.19 111.45 24.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.599 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -74.92 95.78 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.854 HD13 HG11 ' A' ' 89' ' ' VAL . 13.0 mt -86.32 145.2 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.21 96.9 5.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.59 111.84 23.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -132.08 -178.88 5.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.91 164.47 19.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.085 . . . . 0.0 110.399 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.0 -20.13 14.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -95.98 -42.63 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.586 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 52.1 t-105 -53.14 -30.45 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -64.52 -52.54 57.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -52.37 61.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -140.98 83.8 13.7 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -75.03 0.39 8.98 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -74.43 130.01 38.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 71' ' ' ALA . 49.6 mt -96.73 178.89 5.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -123.61 84.04 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.655 HD13 ' HD2' ' A' ' 69' ' ' ARG . 5.9 mm -95.34 40.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.7 p 60.61 113.05 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.986 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.97 32.3 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.46 1.768 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.79 40.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.543 1.812 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 31.5 p -136.67 166.38 23.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 108.283 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -46.75 153.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.14 143.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.93 153.16 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.84 -116.66 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m 48.82 80.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.24 -58.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.17 -169.07 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.0 ttp -160.33 -53.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.13 97.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -48.28 126.33 10.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -125.05 97.0 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.2 m -153.2 165.19 36.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.22 71.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.287 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -51.17 174.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.08 137.57 53.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -78.52 -58.76 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.95 91.42 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.93 -66.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.32 152.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.5 -137.75 5.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.79 76.24 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.88 159.57 3.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -162.06 145.58 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.72 -173.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.72 -160.84 25.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -28.66 8.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.567 1.825 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.81 -58.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.836 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -50.31 -49.67 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -45.63 -49.79 13.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.73 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -50.06 -56.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -62.44 -62.58 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.65 -37.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' CB ' HD21 ' A' ' 93' ' ' LEU . 5.2 mmtt -67.43 -71.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.664 HD11 HG13 ' A' ' 89' ' ' VAL . 66.3 mt -47.15 -28.98 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -58.22 -43.72 87.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -104.72 -3.7 23.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.09 -4.0 28.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.8 mt -151.62 -46.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 60.47 59.56 3.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.738 ' CD ' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 179.01 6.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -89.3 -21.38 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.336 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.616 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 39.4 t -148.35 108.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.738 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -121.16 101.43 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -114.24 148.56 37.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.836 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.2 tt -146.37 149.36 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.72 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -149.83 140.01 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -88.8 105.21 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.15 -61.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.7 p 64.4 163.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA2' HG23 ' A' ' 60' ' ' VAL . . . 52.5 87.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.85 -52.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.781 ' NE2' HG11 ' A' ' 60' ' ' VAL . 4.1 p80 -93.38 69.89 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.595 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' HIS . . . 39.09 61.13 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.781 HG11 ' NE2' ' A' ' 58' ' ' HIS . 1.3 m -131.1 156.76 79.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.82 42.56 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.92 68.82 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 179.1 40.81 0.07 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.76 142.39 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 110.017 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -107.17 48.38 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.7 p -95.08 -56.48 2.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.22 119.46 22.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.643 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.2 m-85 -130.86 178.71 6.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.02 105.29 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.684 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -111.07 147.44 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.24 100.33 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.722 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.0 p -95.54 142.3 13.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.4 t -134.89 93.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -141.7 167.33 22.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.5 p -85.97 -3.88 59.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.19 -39.36 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 11.2 m-85 -93.42 43.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -86.78 76.68 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.35 -30.79 7.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.444 ' O ' ' NH2' ' A' ' 85' ' ' ARG . 3.4 mmm -43.51 150.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.52 167.39 1.78 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -25.48 11.77 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.75 -61.34 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -38.84 -41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 34.3 mtt180 -47.85 -64.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -51.29 -33.08 27.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 91' ' ' GLU . 10.3 ttt-85 -64.51 -43.16 94.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -50.15 -46.91 54.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.664 HG13 HD11 ' A' ' 40' ' ' LEU . 76.5 t -71.48 -50.57 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 25.0 m170 -53.54 -31.04 44.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.555 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -66.25 -42.64 88.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.771 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -78.47 -37.36 43.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 92' ' ' ALA . 2.1 mm? -119.76 61.99 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER -73.55 -48.73 30.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.23 -15.53 15.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.665 ' HG2' HD12 ' A' ' 93' ' ' LEU . 11.4 mp0 -77.3 -62.15 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -64.76 -21.48 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.72 57.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.77 -99.87 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.05 125.75 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -104.9 -42.4 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.33 100.98 3.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -114.33 123.63 49.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.698 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -79.33 96.68 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.642 HG23 ' CG1' ' A' ' 70' ' ' VAL . 12.6 mt -87.93 141.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.91 96.32 5.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.87 114.94 26.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -133.81 -178.43 5.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -116.12 164.25 18.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.6 -30.57 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -86.2 -41.37 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.645 ' CZ3' HD21 ' A' ' 120' ' ' LEU . 71.5 t-105 -49.21 -37.53 23.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 49.9 mtp180 -53.07 -55.07 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.92 -56.95 8.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -134.01 85.77 39.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.634 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 2.87 6.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.81 176.81 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.645 HD21 ' CZ3' ' A' ' 114' ' ' TRP . 11.4 mt -136.08 -179.62 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -131.26 78.46 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.539 HG21 HH11 ' A' ' 52' ' ' ARG . 44.0 mm -78.13 -66.62 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 124' ' ' PRO . 0.5 OUTLIER -100.5 138.9 20.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.038 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 123' ' ' SER . 18.2 Cg_endo -75.03 167.91 25.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.01 22.41 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.779 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -65.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.37 76.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.8 p -137.88 110.7 7.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.34 142.29 28.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.78 61.73 0.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.22 160.16 39.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m 63.32 131.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.44 129.74 1.59 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.439 1.087 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.26 158.2 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.01 121.12 25.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 15' ' ' THR . 8.9 t -132.9 114.98 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 133.82 35.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.04 135.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -174.24 163.36 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.7 p -171.58 106.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.44 152.62 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.48 111.28 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.52 145.62 14.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -140.61 110.09 6.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 57.95 165.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.79 92.28 1.57 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 t -178.81 87.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.993 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -175.09 -179.89 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 65.43 90.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.654 ' HB1' ' OE1' ' A' ' 33' ' ' GLU . . . -54.52 -171.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.61 -170.47 15.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -23.23 13.93 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG13 ' OE1' ' A' ' 96' ' ' GLU . 72.6 t -74.04 -69.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.954 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -42.41 -55.63 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.422 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -40.03 -55.67 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.09 74.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.6 mt -48.42 -67.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG3' HD22 ' A' ' 49' ' ' LEU . 8.5 ttp180 -55.09 -57.25 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.71 -40.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.65 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -67.66 -71.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.882 HD12 HD12 ' A' ' 44' ' ' LEU . 4.0 mm? -44.02 -33.23 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -56.21 -42.81 77.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 39' ' ' LYS . 22.7 pt20 -104.17 -3.45 24.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.72 -9.39 20.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.24 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.882 HD12 HD12 ' A' ' 40' ' ' LEU . 99.0 mt -144.35 -46.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.481 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.26 60.36 3.1 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.712 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -179.86 5.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.457 1.767 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.56 -22.53 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.708 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.4 t -147.08 109.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.48 105.23 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 6.0 mm-40 -118.88 130.33 55.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.954 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.7 tt -131.08 144.39 51.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.698 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -154.85 149.84 26.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.64 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' SER . 2.1 mm-40 -81.0 -67.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.482 ' HA ' ' CE1' ' A' ' 58' ' ' HIS . 29.5 t 37.87 85.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -144.93 -51.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -110.86 94.85 0.8 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.764 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.3 OUTLIER 179.15 143.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 0.0 109.587 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.59 73.87 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 ' CE1' ' A' ' 58' ' ' HIS . 27.5 m -131.84 156.82 79.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 145.35 31.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.39 141.0 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.56 59.27 4.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 147.52 49.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -122.2 47.04 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.4 p -86.1 -33.41 20.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.422 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.14 122.85 44.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.542 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.696 ' HB3' HD13 ' A' ' 104' ' ' LEU . 2.2 m-85 -136.05 171.96 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.757 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -153.65 116.93 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.779 ' CG1' HG23 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -121.15 139.03 49.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.516 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -115.47 99.24 7.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' A' ' 46' ' ' PRO . 10.0 p -93.38 140.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.3 t -133.38 87.79 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -134.58 165.74 24.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.016 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -84.38 -7.45 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -39.22 70.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.494 ' CE2' HG13 ' A' ' 72' ' ' VAL . 9.9 m-85 -88.1 38.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.39 106.7 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.26 44.29 84.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 p -90.3 167.86 15.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.93 2.87 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 84' ' ' GLN . 14.4 mt -68.66 -67.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.5 mt-30 -36.61 -53.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 84.8 mtt180 -44.05 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -55.65 -40.55 72.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -56.11 -46.65 79.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -49.05 64.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.612 ' HA ' HD11 ' A' ' 40' ' ' LEU . 94.7 t -70.03 -50.33 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 10.0 m170 -52.07 -38.93 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -45.99 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.414 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -58.14 -49.1 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 39' ' ' LYS . 3.6 mm? -118.85 62.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.5 t -68.19 -36.22 79.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.056 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.78 -37.39 87.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.633 ' OE1' HG13 ' A' ' 32' ' ' VAL . 31.1 mm-40 -55.38 -64.02 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.6 mm? -53.66 -22.39 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -114.72 67.58 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.81 -100.83 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.8 t -83.63 129.03 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -108.57 -40.91 4.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.569 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -141.57 101.43 3.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -115.21 113.76 24.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.757 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -78.84 103.68 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.779 HG23 ' CG1' ' A' ' 70' ' ' VAL . 12.8 mt -92.48 142.22 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.613 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -112.02 103.13 11.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.16 107.06 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -133.92 155.63 49.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.6 p -90.7 163.88 28.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.434 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.49 8.85 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.92 -22.27 13.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -94.18 -40.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.708 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 43.5 t-105 -53.76 -34.2 58.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 107.99 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -62.41 -48.03 81.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -46.86 83.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -146.22 83.62 8.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.497 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.07 -9.62 20.75 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -72.18 118.96 15.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.516 HD21 ' HB1' ' A' ' 71' ' ' ALA . 18.7 mt -83.52 -176.12 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.21 68.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.9 pt -94.73 -41.62 12.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.7 p -151.59 148.93 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 123.38 7.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 179.3 6.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 12.6 t -135.89 85.59 2.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 108.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.6 tp 62.84 129.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -173.99 149.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.013 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.32 116.5 32.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.43 89.02 0.1 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.17 -56.71 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -76.98 136.07 38.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.94 166.63 37.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.35 163.4 34.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.83 138.82 37.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -127.31 101.39 6.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.85 61.47 1.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -59.68 4.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.49 161.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.262 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.13 136.41 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.06 -58.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -118.25 121.96 41.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -107.13 -123.4 5.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.95 119.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.56 -57.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.09 139.45 9.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 p -140.3 106.76 5.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.36 -59.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.59 168.84 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.12 -178.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.92 -170.37 12.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.45 14.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 71.1 t -76.83 -62.11 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' ' HG ' ' A' ' 51' ' ' LEU . 5.6 tt0 -52.62 -59.31 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.02 -43.16 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' C ' ' N ' ' A' ' 37' ' ' ARG . . . -63.36 -56.91 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' ALA . 44.5 mt -39.5 -32.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.81 -68.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.68 -30.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.3 mmtm -68.73 -69.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.698 HD11 HG13 ' A' ' 89' ' ' VAL . 93.8 mt -49.17 -25.37 2.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' HG3' HD13 ' A' ' 49' ' ' LEU . 16.7 mt-10 -62.7 -42.02 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -104.6 -3.58 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -102.99 -9.7 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.572 ' CD1' HD22 ' A' ' 40' ' ' LEU . 57.2 mt -145.67 -46.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.68 58.79 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.758 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.05 -178.98 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.501 1.79 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.22 -20.7 23.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.65 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 19.8 t -149.97 107.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -115.79 89.76 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 6.7 mm-40 -100.32 127.6 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.733 HD12 ' N ' ' A' ' 52' ' ' ARG . 8.0 tp -140.5 136.3 32.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.733 ' N ' HD12 ' A' ' 51' ' ' LEU . 41.9 mmt180 -145.23 175.7 10.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -105.83 142.12 36.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' OE2' ' CG2' ' A' ' 122' ' ' ILE . 4.6 mm-40 -114.58 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' GLU . 94.5 p 38.77 83.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.09 -98.61 1.02 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . -170.29 34.48 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.67 ' NE2' HG11 ' A' ' 60' ' ' VAL . 1.8 p80 -66.4 75.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 47.05 40.57 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG11 ' NE2' ' A' ' 58' ' ' HIS . 3.7 m -120.51 154.19 56.66 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.15 28.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.523 1.801 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.77 135.44 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.64 55.81 5.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.81 144.19 47.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -119.58 78.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.411 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 33.8 p -124.71 -58.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -72.89 98.03 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.611 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 104' ' ' LEU . 2.4 m-85 -115.13 163.47 15.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -136.9 121.35 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -121.5 151.99 24.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -134.21 100.05 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 46' ' ' PRO . 13.6 p -99.16 141.82 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 97.5 t -131.71 88.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.433 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -134.98 162.74 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 p -82.3 -9.22 59.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.9 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 6.6 m-85 -93.22 43.25 1.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.05 88.2 6.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.78 29.41 42.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.35 158.51 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.55 169.92 4.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.14 12.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.24 -56.73 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 88' ' ' LEU . 3.2 mt-30 -43.6 -47.8 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 36.1 mtt-85 -49.57 -67.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 12.0 m170 -56.43 -32.38 64.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.3 ttt85 -66.3 -38.21 87.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' GLN . 0.5 OUTLIER -57.41 -54.2 49.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.698 HG13 HD11 ' A' ' 40' ' ' LEU . 71.6 t -65.91 -40.8 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 45.0 m170 -61.43 -39.35 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -43.91 92.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -73.45 -41.6 63.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.482 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -120.53 63.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.5 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 0.3 OUTLIER -77.89 -50.26 12.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 98' ' ' ALA . 2.5 mt-10 -59.02 -22.03 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.3 mp0 -64.93 -40.03 94.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.93 9.33 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 95' ' ' GLU . . . -119.45 50.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.3 -73.48 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.438 1.087 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -75.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 96' ' ' GLU . 3.2 t -65.96 140.86 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -114.15 -33.59 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.632 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -169.04 111.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -127.49 131.39 50.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.436 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -72.98 96.39 2.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.55 ' HA ' HG12 ' A' ' 70' ' ' VAL . 23.0 mt -81.33 126.44 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.36 96.73 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -96.93 109.53 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.48 177.46 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.64 165.09 15.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.1 8.14 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -107.86 -21.3 12.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -97.48 -40.69 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.65 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 29.6 t-105 -55.24 -27.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -63.78 -54.71 30.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.75 -56.02 11.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -138.73 87.78 14.51 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.6 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -11.95 21.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -72.37 119.1 16.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 71' ' ' ALA . 13.2 mt -78.52 -171.21 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -144.25 87.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.494 ' CG2' ' OE2' ' A' ' 54' ' ' GLU . 39.1 mt -101.88 -57.51 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 p -87.9 151.83 50.25 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 121.74 6.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 179.6 5.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.7 t -137.26 113.59 10.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.5 pp -165.37 168.54 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.17 161.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -160.1 -58.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.85 -163.14 31.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.7 p -131.34 170.35 14.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.71 168.63 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.01 153.56 8.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.3 ttm -172.01 -55.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.67 88.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 t -112.45 161.63 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -113.01 -56.46 2.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 p 57.64 167.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 64.5 m -125.75 162.55 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 108.306 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.3 t -108.26 124.18 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -44.48 157.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -56.63 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 141.99 -109.76 0.6 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.5 t -168.98 76.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.2 111.24 21.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -41.85 -92.69 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.663 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -101.72 -1.95 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.999 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . 166.07 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.1 168.57 19.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.89 -171.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -148.63 -167.38 13.67 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -26.55 10.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.65 HG13 ' OE2' ' A' ' 96' ' ' GLU . 82.9 t -76.88 -63.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 3.7 tt0 -46.12 -57.2 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.09 -49.01 11.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.72 -52.56 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 mt -41.99 -59.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.4 ttt180 -64.18 -62.78 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.85 -36.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.633 ' CB ' HD21 ' A' ' 93' ' ' LEU . 3.2 mmtt -68.92 -71.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.673 HD11 HG13 ' A' ' 89' ' ' VAL . 50.0 mt -47.09 -25.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 39' ' ' LYS . 10.8 mt-10 -64.41 -40.96 96.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -104.75 -4.86 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.56 -3.09 29.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.7 mt -151.04 -46.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 58.67 59.68 5.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.814 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -74.93 -179.18 4.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -87.42 -21.17 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.244 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.524 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.4 t -149.79 106.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -119.63 99.04 6.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.7 mm-40 -107.31 139.6 41.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.615 HD13 HG23 ' A' ' 70' ' ' VAL . 30.4 tp -152.15 135.87 16.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' NH1' ' OE2' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -155.88 158.98 38.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -96.03 132.39 41.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -111.49 -63.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 t 56.76 163.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.41 139.26 10.69 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 58' ' ' HIS . . . 116.23 -73.52 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER -53.18 -173.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.553 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.71 70.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.555 HG22 ' CD2' ' A' ' 58' ' ' HIS . 16.7 m -121.31 151.53 56.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.85 12.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.04 169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 46.07 49.53 13.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.1 p -108.18 127.28 53.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.039 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.46 42.31 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.532 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 2.7 p -82.43 -34.13 28.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.7 ' CG ' ' CE1' ' A' ' 58' ' ' HIS . 9.5 m170 -93.44 126.27 38.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' HB3' HD13 ' A' ' 104' ' ' LEU . 7.2 m-85 -139.09 179.02 6.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.27 111.19 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.615 HG23 HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.84 146.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.09 99.29 5.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 46' ' ' PRO . 11.0 p -96.07 139.91 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.489 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 98.8 t -133.34 88.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -136.37 166.6 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 p -83.23 -10.49 58.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -48.45 -43.94 34.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -92.11 46.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.51 81.1 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.79 28.14 36.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.48 171.94 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 166.22 41.76 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.931 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -26.99 10.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.48 -57.2 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.523 ' O ' HD23 ' A' ' 88' ' ' LEU . 39.1 mt-30 -42.77 -42.32 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 47.4 mtt180 -54.22 -68.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -54.62 -32.28 58.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.584 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -66.72 -41.7 87.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -51.33 -53.71 33.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.673 HG13 HD11 ' A' ' 40' ' ' LEU . 62.6 t -65.98 -51.01 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.497 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 11.3 m170 -51.47 -36.8 45.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ARG . 0.1 OUTLIER -63.58 -45.23 91.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.722 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -68.22 -43.77 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.722 HD22 ' C ' ' A' ' 92' ' ' ALA . 2.6 mm? -118.17 61.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 90' ' ' HIS . 26.5 t -76.87 -27.82 55.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.48 -14.47 59.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.65 ' OE2' HG13 ' A' ' 32' ' ' VAL . 8.1 mm-40 -81.19 -64.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.497 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.8 mm? -55.67 -20.93 15.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.42 66.28 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.22 -100.88 0.15 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 t -70.17 124.28 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.532 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -110.29 -16.87 13.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HB3' ' CD2' ' A' ' 67' ' ' HIS . . . -163.21 121.57 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.3 tp -144.18 118.29 9.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.422 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -76.26 95.97 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' ' 70' ' ' VAL . 10.8 mt -80.01 137.43 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.478 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -111.49 96.18 5.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -94.37 109.25 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -131.75 -178.23 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.57 165.52 18.21 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 0.04 9.38 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -109.01 -17.6 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -99.79 -35.93 9.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.524 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 51.8 t-105 -59.57 -29.44 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -65.51 -40.4 92.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.87 -50.72 72.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -144.43 85.96 8.4 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.1 Cg_endo -75.05 0.55 8.79 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -81.01 119.99 24.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.497 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 27.5 mt -88.58 -175.74 5.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.93 74.48 1.36 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 49.9 mm -80.62 -61.96 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.71 123.89 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 77.47 3.11 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.563 1.823 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 26.5 p 179.52 122.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.33 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.1 -62.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 t 56.35 97.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.783 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.9 p -138.52 100.45 4.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.77 -87.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.8 p 51.86 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.15 88.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.7 143.99 18.26 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.691 ' HB3' HG23 ' A' ' 15' ' ' THR . 0.0 OUTLIER -138.59 168.14 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.977 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.22 -64.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 13' ' ' MET . 67.0 p 46.2 -166.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.7 157.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.37 112.95 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -68.35 165.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 108.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t 62.94 139.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.73 171.21 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.55 -57.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.91 -85.11 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t 61.06 110.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.51 -69.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.04 95.48 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.23 85.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -176.33 179.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.92 65.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' HB1' ' CD ' ' A' ' 33' ' ' GLU . . . 56.54 -168.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.82 -167.78 24.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.01 10.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 36' ' ' ILE . 62.9 t -73.04 -63.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.963 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -46.91 -36.69 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.52 -61.25 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 39' ' ' LYS . . . -58.85 -42.73 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.727 HD11 HG12 ' A' ' 32' ' ' VAL . 78.7 mt -54.04 -48.21 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.36 -62.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.11 -36.05 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 35' ' ' ALA . 8.6 mmtm -69.64 -69.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.735 ' CD2' HG13 ' A' ' 89' ' ' VAL . 59.7 mt -48.75 -23.82 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' LYS . 7.8 mt-10 -64.63 -42.81 95.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -104.69 -3.48 23.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -98.69 -10.38 23.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 76.6 mt -143.1 -47.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.518 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 13.2 p 63.71 58.27 1.88 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.761 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.0 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.529 1.805 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.15 -23.4 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.61 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.8 t -145.45 108.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -119.91 101.57 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' ALA . 6.1 mm-40 -115.6 127.31 55.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.963 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.6 tt -125.99 142.33 51.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.618 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -157.7 155.99 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 54' ' ' GLU . 46.1 t-20 -95.4 143.26 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 2.5 mm-40 -112.26 -55.3 2.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 p 47.09 83.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.16 -128.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' HIS . . . -123.83 9.34 8.58 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -47.42 173.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.585 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 90.16 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.07 155.08 72.89 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.51 26.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.93 133.33 14.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.06 52.26 4.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.7 142.73 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -124.31 59.41 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 p -102.69 -60.0 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.454 ' CG ' ' CE1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -67.88 100.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.631 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' HB2' ' CD1' ' A' ' 104' ' ' LEU . 2.0 m-85 -119.27 177.46 4.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.633 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -154.25 109.44 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.824 ' CG1' HG23 ' A' ' 106' ' ' ILE . 2.5 p -111.72 151.2 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.563 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -130.16 99.62 5.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.761 HG23 ' HG3' ' A' ' 46' ' ' PRO . 8.1 p -94.94 138.86 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.47 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.6 t -132.7 89.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -136.04 166.62 22.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.45 -3.22 58.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -38.83 85.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CE2' HG13 ' A' ' 72' ' ' VAL . 6.8 m-85 -87.59 38.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -85.26 89.08 7.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.16 -38.32 3.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.498 ' CE ' ' CD1' ' A' ' 88' ' ' LEU . 5.8 mmm -37.4 153.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.81 158.86 21.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -25.29 11.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.29 -49.33 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -53.71 -38.83 64.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 44.8 mtt180 -48.69 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -52.74 -41.3 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -53.02 -41.43 64.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD1' ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -60.91 -39.34 88.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.735 HG13 ' CD2' ' A' ' 40' ' ' LEU . 6.3 t -76.86 -39.43 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 94' ' ' SER . 11.1 m170 -64.18 -42.94 96.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.28 -48.27 68.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.453 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -58.29 -48.5 80.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 92' ' ' ALA . 3.3 mm? -114.63 60.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' HIS . 37.3 t -74.99 -17.94 60.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -30.88 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.96 -58.03 7.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.586 HD13 HG12 ' A' ' 101' ' ' VAL . 2.3 mm? -57.96 -29.52 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.43 66.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . 172.15 -102.17 0.17 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 18.3 Cg_endo -74.95 -46.45 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.443 1.76 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.586 HG12 HD13 ' A' ' 97' ' ' LEU . 71.1 t -86.6 130.56 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -111.84 -50.03 2.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -128.94 107.43 9.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -118.88 121.03 39.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.633 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . . . -85.43 95.44 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.824 HG23 ' CG1' ' A' ' 70' ' ' VAL . 10.8 mt -87.2 145.94 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.38 96.5 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.74 109.25 20.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -134.1 163.18 30.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -98.79 164.61 16.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 0.39 8.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.25 -20.41 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -95.83 -41.38 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.61 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 53.9 t-105 -54.11 -34.4 60.15 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -60.36 -50.38 73.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -57.46 12.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -135.03 82.64 42.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.4 Cg_endo -74.95 -7.8 19.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -70.93 121.59 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.563 HD11 ' CB ' ' A' ' 71' ' ' ALA . 21.4 mt -86.3 -175.59 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -135.21 84.6 2.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.8 -69.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 94.9 p -144.54 143.12 20.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.08 43.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.567 1.825 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 57.88 81.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 108.283 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 59.3 mt -122.4 -67.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.1 m -163.19 170.27 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -148.95 166.23 29.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.63 -175.73 22.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.74 164.55 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.7 p -175.1 169.34 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.4 140.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -130.77 -54.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.68 96.96 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -106.19 127.83 53.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -135.43 -60.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m 45.06 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 111.39 24.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 108.34 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.4 p -170.52 156.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.0 p -133.19 127.84 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.96 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -108.58 172.85 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -126.05 1.54 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.12 138.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -139.12 169.66 17.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 155.83 31.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -159.91 118.83 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.6 -59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.01 171.41 8.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.97 -169.5 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.07 15.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.468 1.773 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t -80.65 -63.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' HG2' HD23 ' A' ' 51' ' ' LEU . 22.4 tt0 -46.82 -53.95 10.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.6 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.58 79.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 34.3 mt -49.42 -40.38 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -62.59 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.4 -36.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.9 mmtt -69.03 -71.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.669 HD21 HG13 ' A' ' 89' ' ' VAL . 96.8 mt -49.08 -23.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 39' ' ' LYS . 8.9 mt-10 -65.27 -41.37 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -105.14 -3.59 22.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -102.26 -0.14 33.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.2 mt -151.56 -46.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.523 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 62.83 57.99 2.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.699 ' CG ' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 173.06 15.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.807 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.12 -18.7 26.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.879 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 25.2 t -150.09 104.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.699 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.76 92.25 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.0 mm-40 -97.86 133.65 42.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 70' ' ' VAL . 19.2 tp -144.45 138.74 27.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.28 153.79 34.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -93.09 121.64 34.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.56 -64.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p 39.81 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.77 132.25 1.36 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 131.73 -75.16 0.43 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.527 ' CD2' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -53.64 -173.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.636 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.21 75.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.527 HG22 ' CD2' ' A' ' 58' ' ' HIS . 17.3 m -129.12 152.43 79.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.16 33.86 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.538 1.81 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.14 163.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.24 39.84 56.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.7 p -121.23 132.52 54.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -135.14 39.3 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 6.9 p -76.66 -51.7 11.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.13 118.04 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.628 ' HB3' HD13 ' A' ' 104' ' ' LEU . 3.8 m-85 -133.13 175.06 9.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.599 ' HG3' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -151.25 116.74 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.747 ' CG1' HG23 ' A' ' 106' ' ' ILE . 1.2 p -121.0 131.25 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -112.02 99.42 8.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.67 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.8 p -93.26 141.29 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 99.3 t -133.61 96.34 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.473 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -147.61 167.45 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.3 p -80.12 -16.21 55.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -46.62 -36.75 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -97.59 43.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -85.28 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.72 20.09 75.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.505 ' CE ' HD13 ' A' ' 88' ' ' LEU . 0.4 OUTLIER -83.0 161.16 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.39 164.98 9.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -36.45 2.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.66 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -43.39 -44.63 5.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 mtt180 -47.95 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -58.23 -33.42 69.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.25 -55.5 33.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.505 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -43.99 -38.86 3.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.669 HG13 HD21 ' A' ' 40' ' ' LEU . 71.2 t -79.21 -57.16 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' O ' ' CA ' ' A' ' 94' ' ' SER . 41.0 m170 -48.53 -28.27 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -46.14 63.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.91 71.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.26 61.34 0.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.4 OUTLIER -80.9 -23.59 38.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.25 -14.2 47.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -79.43 -35.22 40.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 101' ' ' VAL . 0.7 OUTLIER -101.85 5.78 41.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -118.4 36.77 4.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.412 HG11 ' CB ' ' A' ' 104' ' ' LEU . 8.1 t -57.15 130.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.535 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -112.7 -15.39 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.623 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -170.23 99.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.9 OUTLIER -115.47 124.32 50.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.637 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -84.25 100.3 11.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.747 HG23 ' CG1' ' A' ' 70' ' ' VAL . 24.8 mt -89.42 143.73 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.72 97.26 6.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.49 111.98 23.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.06 -177.07 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -119.08 164.0 23.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.382 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.85 -14.8 14.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.92 -35.87 8.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.879 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 52.8 t-105 -60.07 -29.01 68.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -61.91 -50.34 72.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.19 -52.6 64.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -135.91 85.42 29.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.611 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.96 1.93 7.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.782 . . . . 0.0 111.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -79.25 172.57 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 26.5 mt -139.95 162.72 34.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.73 82.56 1.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 54.6 mt -89.26 -75.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.37 159.93 30.82 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.92 6.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.35 4.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -149.72 139.02 21.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.65 133.14 54.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.55 161.1 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.7 p -173.88 121.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.59 -141.27 4.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -156.19 166.88 32.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 110.026 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 p -131.99 135.76 46.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.73 -155.23 21.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 56.53 4.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.38 -61.05 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.9 m -79.09 103.8 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -101.88 104.19 14.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 p -42.42 120.97 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.85 157.41 40.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.72 144.63 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -160.99 104.39 1.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -40.23 134.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.18 -138.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.39 140.65 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 0.788 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.69 -64.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.56 97.86 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -108.25 -58.49 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -150.89 167.09 28.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.83 109.91 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 57.41 -170.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.11 -154.22 24.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.155 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -28.44 9.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.55 -71.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.895 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -40.03 -49.08 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.84 -61.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -47.48 74.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 mt -49.06 -57.67 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 41' ' ' GLU . 3.5 ttt180 -62.65 -62.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.07 -36.98 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' CB ' HD21 ' A' ' 93' ' ' LEU . 3.4 mmtm -69.26 -70.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 91.2 mt -48.05 -24.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ARG . 11.6 mt-10 -63.81 -43.14 97.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -105.05 -2.92 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -96.49 -29.1 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD11 HG22 ' A' ' 89' ' ' VAL . 79.8 mt -125.37 -43.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.52 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 61.36 58.34 3.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.759 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.5 Cg_endo -75.0 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.14 -22.63 17.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.53 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 29.7 t -143.72 107.11 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD12 ' CG ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -120.13 101.99 8.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' ALA . 4.0 mm-40 -119.48 125.18 48.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.895 HD13 ' HG2' ' A' ' 33' ' ' GLU . 1.7 tt -123.39 143.11 50.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.625 ' N ' HD23 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -153.58 154.37 34.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.58 97.01 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.66 -70.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t 44.04 55.49 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.53 -118.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.6 55.44 2.33 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 140.49 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.552 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.24 53.0 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.4 m -118.93 153.31 52.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 141.41 26.83 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.42 123.27 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.88 -30.82 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.9 m -68.67 125.93 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . 1.8 mt-10 -115.37 50.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.5 p -87.68 -59.36 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 104.3 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.552 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.929 ' HB3' HD13 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -120.38 163.8 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.76 101.01 3.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.701 HG23 ' HG ' ' A' ' 51' ' ' LEU . 1.3 p -104.77 149.91 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLU . . . -126.19 99.6 5.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.759 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.4 p -97.47 140.83 16.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 95.9 t -135.15 94.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.443 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -140.26 158.7 43.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.048 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 p -79.18 3.15 18.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.68 -41.02 92.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 4.6 m-85 -90.45 42.24 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.56 87.5 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.81 -36.1 4.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.435 ' CE ' HD13 ' A' ' 88' ' ' LEU . 1.2 mmm -41.73 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 0.801 . . . . 0.0 111.046 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.81 161.16 73.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.06 11.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.13 -54.35 5.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -48.85 -34.7 13.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mtt180 -53.75 -69.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -48.37 -44.67 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.605 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -49.69 -51.05 41.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.435 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -49.82 -45.96 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.769 HG11 HD13 ' A' ' 106' ' ' ILE . 42.4 t -70.98 -55.31 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 94' ' ' SER . 12.7 m170 -48.19 -44.28 32.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -45.37 79.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -63.18 -47.16 83.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' A' ' 39' ' ' LYS . 3.7 mm? -116.4 62.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 90' ' ' HIS . 39.3 t -67.91 -45.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.49 -39.45 76.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.34 -55.93 28.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 104' ' ' LEU . 2.3 mm? -68.85 -30.93 69.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 74.49 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.84 -94.31 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.2 t -77.25 127.02 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -101.74 -50.78 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.588 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -132.44 104.4 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.929 HD13 ' HB3' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -115.42 112.4 22.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.51 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -72.37 98.41 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.769 HD13 HG11 ' A' ' 89' ' ' VAL . 14.9 mt -91.05 145.47 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.604 ' O ' HG12 ' A' ' 72' ' ' VAL . 5.3 tt0 -118.05 97.57 5.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -91.09 105.25 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -133.3 169.09 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.1 p -109.57 167.7 8.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.463 1.77 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.55 -35.75 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -85.49 -37.43 19.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.62 ' CZ3' HD21 ' A' ' 120' ' ' LEU . 72.6 t-105 -50.38 -39.05 45.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -54.61 -45.52 73.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.51 -58.23 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.75 83.82 18.92 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.488 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -75.02 1.02 8.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.44 132.15 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.62 HD21 ' CZ3' ' A' ' 114' ' ' TRP . 6.9 mt -93.43 -163.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.8 72.11 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 38.3 mm -93.39 -58.57 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.9 p -143.54 142.55 21.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 153.07 41.28 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.42 2.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.516 1.798 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 56.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.27 137.1 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.5 p -175.64 132.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 110.037 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.59 170.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.28 143.12 4.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -176.1 162.1 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.014 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -158.44 146.76 18.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -138.15 14.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 65.51 109.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 0.727 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.58 147.7 26.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -136.61 130.58 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.75 142.95 47.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -91.37 163.8 14.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.0 t -160.67 152.63 20.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.52 156.67 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.0 155.7 16.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -146.6 87.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -120.8 170.4 14.45 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.33 -59.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.1 169.36 18.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.13 96.72 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.563 1.165 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.35 -60.35 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 0.819 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.42 154.61 36.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -131.14 140.46 49.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.5 178.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -158.14 9.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -26.95 10.31 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.2 t -75.28 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' CG ' HD21 ' A' ' 51' ' ' LEU . 10.6 tt0 -48.87 -59.63 3.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' GLU . . . -39.72 -53.76 2.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.73 -55.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' CG1' ' OE2' ' A' ' 96' ' ' GLU . 37.1 mt -41.0 -50.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' GLU . 6.9 ttt180 -72.56 -64.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.04 -33.47 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' ALA . 3.0 mmtt -70.13 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.783 HD21 HG13 ' A' ' 89' ' ' VAL . 46.3 mt -51.29 -22.47 2.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 37' ' ' ARG . 12.2 mt-10 -64.23 -43.77 93.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -104.64 -3.82 23.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -99.71 -4.53 30.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -150.31 -46.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.504 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.76 59.75 4.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.74 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.02 -178.54 4.24 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.38 -21.57 21.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.917 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 21.9 t -149.35 103.61 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -116.43 86.36 2.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 3.0 mm-40 -92.96 140.16 29.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.88 ' HB2' HG23 ' A' ' 70' ' ' VAL . 7.8 tp -151.72 136.06 16.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.742 ' N ' HD12 ' A' ' 51' ' ' LEU . 28.4 mmt85 -154.4 173.06 16.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -102.33 133.16 47.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -97.33 -61.78 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.6 p 38.94 87.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.6 -135.09 0.77 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.82 22.98 12.17 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.67 ' CD2' HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -51.32 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.44 61.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 58' ' ' HIS . 33.3 m -118.26 152.56 50.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.25 22.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.33 146.25 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.37 47.6 8.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.67 144.45 47.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.22 62.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.529 ' HB ' ' CD2' ' A' ' 102' ' ' HIS . 4.9 p -101.66 -52.02 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -77.2 125.42 29.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' HB3' HD13 ' A' ' 104' ' ' LEU . 4.3 m-85 -141.78 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 112.47 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -115.53 148.44 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.486 ' HB1' HD21 ' A' ' 120' ' ' LEU . . . -131.92 99.76 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.74 HG23 ' HG3' ' A' ' 46' ' ' PRO . 7.6 p -94.98 139.71 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.488 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 95.4 t -133.13 92.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -139.15 165.02 28.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.7 p -85.37 -1.11 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.88 -42.29 93.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 14.4 m-85 -88.39 39.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -77.79 106.4 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.28 45.62 92.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.128 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -172.11 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 0.771 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 p -92.26 166.94 16.02 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -34.07 4.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.537 1.809 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' GLN . 4.1 mm? -70.42 -67.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' LEU . 38.0 mt-30 -35.75 -49.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 89.6 mtt180 -46.97 -67.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -56.5 -36.12 68.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -60.02 -42.73 94.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -55.91 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.783 HG13 HD21 ' A' ' 40' ' ' LEU . 96.6 t -59.55 -55.66 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.546 ' CE1' ' HG ' ' A' ' 97' ' ' LEU . 23.0 m170 -50.85 -46.83 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.575 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.83 -37.94 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' A' ' 93' ' ' LEU . . . -80.11 -38.01 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 92' ' ' ALA . 2.4 mm? -113.93 58.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' HIS . 1.6 t -75.79 -12.23 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.046 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.81 -32.46 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' OE2' ' CG1' ' A' ' 36' ' ' ILE . 6.2 mm-40 -62.38 -63.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.546 ' HG ' ' CE1' ' A' ' 90' ' ' HIS . 2.3 mm? -55.86 -25.93 44.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.62 64.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.99 -102.5 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.69 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 101' ' ' VAL . 2.2 t -75.46 117.41 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.529 ' CD2' ' HB ' ' A' ' 66' ' ' THR . 0.3 OUTLIER -111.73 -15.95 13.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -163.32 101.87 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -127.28 118.45 24.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 0.0 109.271 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.442 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.06 102.19 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.541 ' HA ' HG12 ' A' ' 70' ' ' VAL . 8.8 mt -86.87 137.36 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.54 96.09 5.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.54 110.21 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -132.68 -179.96 5.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.5 166.0 13.72 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.07 8.15 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.51 -30.82 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -87.73 -41.09 13.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.917 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 28.5 t-105 -51.43 -24.62 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -64.39 -50.28 68.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -42.59 -38.92 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -161.74 94.98 1.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.595 ' O ' ' CZ2' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.98 -1.61 11.45 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -91.52 121.32 33.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.486 HD21 ' HB1' ' A' ' 71' ' ' ALA . 9.7 mt -85.66 149.12 25.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.47 90.36 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.4 mt -106.79 -56.08 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 124' ' ' PRO . 97.2 p -147.57 136.03 11.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 123' ' ' SER . 18.2 Cg_endo -75.02 130.49 13.3 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.422 1.749 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 86.21 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.93 71.17 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 108.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 tp -97.57 125.39 42.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.9 p 177.84 117.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.769 . . . . 0.0 110.037 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.7 m -165.17 170.24 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.78 175.38 32.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -179.22 169.87 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.27 172.17 13.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.49 150.76 18.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.46 136.7 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.98 101.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -120.73 139.73 52.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.03 133.83 8.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 p -177.79 118.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.05 174.13 2.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.2 t 55.22 96.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 p -133.08 134.14 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 122.69 33.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.72 123.49 7.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -172.59 128.88 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.66 155.8 19.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.01 -126.21 3.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.5 m -47.36 161.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.0 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.9 103.19 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.73 -171.78 16.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -21.32 16.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG13 ' OE1' ' A' ' 96' ' ' GLU . 75.9 t -76.3 -63.56 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 51' ' ' LEU . 5.8 tt0 -48.84 -60.48 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.28 -49.19 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ILE . . . -58.36 -55.1 39.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.4 mt -39.57 -42.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -77.93 -61.08 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.81 -35.29 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -69.03 -71.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD21 HG13 ' A' ' 89' ' ' VAL . 34.7 mt -49.71 -23.7 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -64.03 -41.21 97.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -105.17 -3.22 23.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -100.15 -5.47 27.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.6 mt -148.66 -46.33 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 9.8 p 61.21 57.78 3.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.707 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.1 Cg_endo -75.03 176.67 9.61 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.517 1.798 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -88.45 -17.52 30.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.756 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 12.0 t -149.61 107.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -122.37 87.68 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -96.41 143.64 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.884 ' HB2' HG23 ' A' ' 70' ' ' VAL . 43.7 tp -153.93 136.97 15.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -158.43 163.93 36.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -95.26 122.79 38.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 122' ' ' ILE . 41.4 mm-40 -107.05 -50.92 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 1.2 t 83.01 -64.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.31 -93.23 0.7 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.9 103.45 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -162.81 -172.14 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.619 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.64 55.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.539 HG22 ' CD2' ' A' ' 58' ' ' HIS . 35.1 m -110.15 155.77 41.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 151.77 40.02 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.09 127.24 16.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.5 56.64 23.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.741 ' O ' HG23 ' A' ' 66' ' ' THR . 7.1 t -81.68 5.6 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 38.67 72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 64' ' ' SER . 71.6 p -137.61 -69.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.408 ' N ' ' OG1' ' A' ' 66' ' ' THR . 2.1 m170 -85.36 96.33 9.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.551 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.708 ' HB3' HD13 ' A' ' 104' ' ' LEU . 9.2 m-85 -111.45 175.42 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.581 ' HD2' HG23 ' A' ' 122' ' ' ILE . 3.1 ttm180 -154.33 109.61 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.884 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -113.16 137.82 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.578 ' CB ' HD11 ' A' ' 120' ' ' LEU . . . -118.23 98.89 6.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.707 HG23 ' HG3' ' A' ' 46' ' ' PRO . 9.9 p -93.03 135.25 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 82.0 t -130.11 85.7 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.44 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.08 166.91 20.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.3 p -89.7 -3.39 58.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -28.64 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 15.1 m-85 -97.5 39.67 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.72 94.5 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.31 -40.33 2.62 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.451 ' CE ' HD13 ' A' ' 88' ' ' LEU . 2.4 mmm -37.96 149.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.515 0.774 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 82' ' ' PRO . 0.5 OUTLIER -59.24 173.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 81' ' ' SER . 18.3 Cg_endo -75.03 -38.41 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -70.84 -58.87 3.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -38.7 -37.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 57.9 mtt180 -58.12 -68.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -49.63 -40.61 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -53.04 -54.73 30.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.451 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -47.79 -33.16 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.699 HG11 HD13 ' A' ' 106' ' ' ILE . 41.4 t -82.86 -54.84 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' SER . 48.5 m170 -50.64 -41.55 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -45.81 92.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.9 80.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' ' 96' ' ' GLU . 2.8 mm? -116.91 61.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -80.04 -40.85 26.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.952 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -14.58 63.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.501 ' HG3' HD12 ' A' ' 93' ' ' LEU . 7.1 mm-40 -80.48 -35.13 35.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD21 HD23 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -103.98 7.28 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.58 40.13 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.79 -76.04 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.596 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.1 Cg_endo -75.05 -82.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.17 145.48 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 3.2 m-70 -114.23 -55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -129.44 102.91 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' A' ' 68' ' ' PHE . 2.1 tp -115.17 113.62 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.2 98.57 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.699 HD13 HG11 ' A' ' 89' ' ' VAL . 9.1 mt -84.43 145.96 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -119.65 96.41 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -92.8 109.9 21.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -135.85 171.26 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 p -107.4 164.63 14.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.556 1.819 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.04 -15.88 14.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -100.89 -36.92 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.756 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 59.6 t-105 -57.5 -31.34 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -63.91 -49.64 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.82 -51.59 66.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -144.87 87.03 7.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.552 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.5 Cg_endo -74.97 -19.91 17.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -64.92 114.17 4.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.578 HD11 ' CB ' ' A' ' 71' ' ' ALA . 9.3 mt -76.28 176.52 8.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.22 77.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 69' ' ' ARG . 80.2 mt -96.1 -87.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 91.7 p -133.32 146.56 61.36 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 18.5 Cg_endo -75.03 144.74 30.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 124' ' ' PRO . 18.3 Cg_endo -74.99 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 25.3 t -171.02 83.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.8 tp -40.72 -68.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.07 133.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -91.07 144.67 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -149.68 165.53 29.63 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.8 p -97.37 109.06 21.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 109.997 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.79 174.77 10.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.8 71.36 1.3 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 110.19 22.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.972 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.46 156.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.0 p -67.59 159.69 29.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.359 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -99.61 152.77 19.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.1 p -44.82 140.63 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.5 t -131.37 162.73 29.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 108.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.7 t 63.84 136.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.48 117.57 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.057 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -65.05 154.44 37.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.9 136.01 2.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.9 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.13 114.4 28.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 153.04 101.61 0.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 m -118.81 124.92 48.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.98 174.86 5.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.18 151.61 27.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.73 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.83 -168.95 15.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.64 14.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -79.1 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 4.9 tt0 -49.95 -54.81 17.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.39 -47.13 26.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.36 -52.51 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.51 HD11 HG21 ' A' ' 101' ' ' VAL . 51.6 mt -41.89 -40.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HB2' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -82.44 -60.95 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -39.98 -33.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' ALA . 1.9 mmtt -69.76 -71.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.93 HD11 HG13 ' A' ' 89' ' ' VAL . 28.9 mt -50.1 -23.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.57 -42.23 95.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -104.75 -3.86 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . . . -101.05 -4.18 27.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 40' ' ' LEU . 29.5 mt -150.29 -46.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.513 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 59.73 59.25 4.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.781 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -75.07 -178.12 3.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 5.2 mm-40 -88.37 -20.33 25.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.804 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 16.0 t -151.72 102.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD12 ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -115.78 82.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 12.6 mm-40 -88.12 144.38 26.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.722 ' HB2' HG23 ' A' ' 70' ' ' VAL . 9.7 tp -152.17 135.4 15.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.651 ' H ' HD12 ' A' ' 51' ' ' LEU . 56.9 mmm-85 -154.58 172.68 17.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.073 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -105.81 149.01 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' A' ' 122' ' ' ILE . 29.6 mm-40 -117.95 -58.56 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 94.0 p 40.7 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.37 -115.39 3.77 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.58 113.06 4.19 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.639 ' CE1' HG21 ' A' ' 60' ' ' VAL . 0.2 OUTLIER 177.59 145.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 0.785 . . . . 0.0 109.53 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.99 79.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 58' ' ' HIS . 15.3 m -141.4 161.21 53.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.95 -166.71 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 121.33 14.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 64' ' ' SER . . . 74.78 -54.05 2.52 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.469 ' CB ' ' HB ' ' A' ' 60' ' ' VAL . 7.8 t 52.3 172.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 109.974 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -140.22 50.32 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.0 p -118.73 -9.06 10.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.79 126.9 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 33' ' ' GLU . 30.8 m-85 -146.89 170.16 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.49 111.76 7.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.722 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -112.29 144.7 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' A' ' 120' ' ' LEU . . . -130.64 99.86 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.781 HG23 ' HG3' ' A' ' 46' ' ' PRO . 12.4 p -94.0 139.12 18.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 76.1 t -132.38 86.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.43 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -132.9 165.39 24.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -84.11 -5.87 59.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' SD ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -53.39 -41.88 66.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -94.46 46.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.83 62.4 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.94 -14.65 12.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 76' ' ' ARG . 16.4 mtp -46.91 173.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -77.71 162.09 69.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.957 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.0 13.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.464 1.77 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -85.18 -48.74 8.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' ARG . 64.2 mt-30 -51.35 -50.5 59.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 108' ' ' ALA . 25.8 mtt180 -39.18 -63.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -53.65 -35.23 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.604 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLN . 19.8 ttt180 -62.65 -47.6 83.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.49 -52.07 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.93 HG13 HD11 ' A' ' 40' ' ' LEU . 75.8 t -64.82 -58.18 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' SER . 22.1 m170 -45.09 -57.79 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.99 -42.25 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -75.63 -41.89 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.2 mm? -115.88 63.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 90' ' ' HIS . 5.6 t -77.31 -40.42 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.81 -30.67 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.546 ' HG3' HD12 ' A' ' 93' ' ' LEU . 7.7 mm-40 -61.77 -58.96 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.431 HD13 HG12 ' A' ' 101' ' ' VAL . 1.5 mm? -60.26 -27.62 67.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.58 62.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.36 -102.4 0.17 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.417 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -75.0 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.51 HG21 HD11 ' A' ' 36' ' ' ILE . 21.4 t -79.96 113.28 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 12.6 m170 -97.22 -35.69 10.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.596 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.31 109.95 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -126.9 124.81 40.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.468 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -79.44 101.12 8.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.534 ' HA ' HG12 ' A' ' 70' ' ' VAL . 33.2 mt -85.81 141.76 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.541 ' NE2' HD22 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -118.24 98.93 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . . . -98.07 117.08 31.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.62 -174.3 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.0 p -121.58 163.46 30.63 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -106.63 -20.68 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -98.87 -36.3 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.804 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 27.3 t-105 -58.45 -27.53 64.45 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.47 -46.13 89.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.85 -58.18 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -134.49 82.11 46.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.55 ' O ' ' CH2' ' A' ' 114' ' ' TRP . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -86.2 121.18 28.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.541 HD22 ' NE2' ' A' ' 107' ' ' GLN . 39.9 mt -89.73 152.72 21.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.48 74.31 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.405 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 18.9 pt -99.93 -40.25 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -160.51 146.45 11.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.57 33.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.41 2.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.7 133.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.39 -60.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -178.98 169.39 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 m -132.15 167.06 20.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.27 -172.32 17.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -156.97 165.61 35.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.779 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -144.25 159.41 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.07 143.21 7.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.26 161.03 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 0.767 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.27 135.38 11.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.48 123.32 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -173.81 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 p -69.51 128.36 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.25 141.16 2.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.3 t -143.69 130.87 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m 64.44 161.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -35.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.02 148.64 18.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.1 m 65.63 150.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.32 140.75 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.09 -104.65 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.47 -57.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.46 174.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 41.98 67.53 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -176.99 -177.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.65 -166.95 15.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -17.69 19.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.445 1.76 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG13 ' OE1' ' A' ' 96' ' ' GLU . 91.4 t -78.31 -68.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 51' ' ' LEU . 14.4 tt0 -45.28 -56.5 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.11 -50.21 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.35 70.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -43.83 -39.07 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 15.0 ttp-105 -81.29 -65.57 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' ARG . . . -40.14 -32.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' ALA . 4.5 mmtt -69.47 -71.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 44' ' ' LEU . 61.3 mt -50.04 -23.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.15 -45.79 91.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -105.29 -3.04 23.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . -101.59 0.29 36.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.78 ' CD1' HD22 ' A' ' 40' ' ' LEU . 82.7 mt -152.65 -46.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.531 ' N ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER 64.12 57.58 1.7 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.031 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.691 ' HG3' HG23 ' A' ' 72' ' ' VAL . 18.3 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -87.03 -23.11 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG11 ' CZ2' ' A' ' 114' ' ' TRP . 45.4 t -147.25 107.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD12 ' HG2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -114.68 94.56 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . 4.0 mm-40 -100.3 131.04 46.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.782 HD12 ' N ' ' A' ' 52' ' ' ARG . 5.2 tp -144.97 134.96 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.782 ' N ' HD12 ' A' ' 51' ' ' LEU . 34.1 mmm-85 -148.06 176.54 10.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -105.69 139.7 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -121.34 -55.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 t -40.79 149.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.61 67.22 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.75 64.54 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.67 ' NE2' HG11 ' A' ' 60' ' ' VAL . 3.4 p80 -171.97 70.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 46.99 50.29 14.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG11 ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -131.53 156.48 80.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 166.42 29.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 147.5 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.24 62.0 5.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.103 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 p -97.43 155.69 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.985 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -156.42 48.76 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 46.8 p -100.65 -9.84 21.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.73 115.27 21.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.724 ' HB3' HD13 ' A' ' 104' ' ' LEU . 5.6 m-85 -130.58 171.24 13.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.43 ' HG2' HG22 ' A' ' 122' ' ' ILE . 0.0 OUTLIER -147.53 108.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.652 HG23 ' HB2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -111.71 144.9 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -130.34 99.96 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 46' ' ' PRO . 11.4 p -96.74 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 48' ' ' VAL . 89.7 t -138.18 92.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -142.43 164.54 29.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -80.23 -19.02 47.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -42.11 -38.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -94.17 44.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.13 97.28 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.38 24.22 72.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.499 ' CE ' HD13 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -86.13 157.9 19.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 0.81 . . . . 0.0 111.031 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.71 160.74 7.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.9 -42.54 21.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -56.74 -41.46 77.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -51.11 -68.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.09 -30.05 61.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -57.96 9.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.499 HD13 ' CE ' ' A' ' 80' ' ' MET . 0.0 OUTLIER -44.04 -34.69 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.617 HG13 HD21 ' A' ' 40' ' ' LEU . 59.0 t -83.21 -57.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.524 ' CD2' HD13 ' A' ' 97' ' ' LEU . 48.4 m170 -47.53 -36.57 10.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.612 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.5 -44.53 82.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.542 ' C ' HD22 ' A' ' 93' ' ' LEU . . . -70.83 -42.49 70.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.57 HD12 ' HG3' ' A' ' 96' ' ' GLU . 3.7 mm? -120.75 63.83 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 0.6 OUTLIER -81.76 -32.6 31.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.29 -23.02 61.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.57 ' HG3' HD12 ' A' ' 93' ' ' LEU . 6.8 mm-40 -71.21 -39.79 71.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.626 HD21 HD23 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -99.67 7.18 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 94' ' ' SER . . . -122.72 43.32 2.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.6 -78.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' O ' ' CD2' ' A' ' 102' ' ' HIS . 18.4 Cg_endo -74.94 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.1 t -63.91 140.42 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 100' ' ' PRO . 29.6 m170 -111.55 -54.03 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -131.55 103.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.724 HD13 ' HB3' ' A' ' 68' ' ' PHE . 1.1 tp -116.36 120.35 38.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.445 ' N ' HD12 ' A' ' 104' ' ' LEU . . . -78.34 99.5 6.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.559 ' HA ' HG12 ' A' ' 70' ' ' VAL . 9.9 mt -86.33 140.79 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.92 96.29 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.83 114.59 26.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -132.11 -179.07 5.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 p -118.65 164.29 21.46 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.76 8.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.802 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -108.73 -14.16 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -103.16 -34.98 8.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.561 ' CZ2' HG11 ' A' ' 48' ' ' VAL . 59.1 t-105 -60.67 -35.99 77.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 107.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 115' ' ' ARG . 15.6 mtp-105 -60.74 -42.14 96.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -63.42 -51.17 66.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -141.09 81.89 15.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 18.3 Cg_endo -74.99 -3.16 13.52 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.426 1.75 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -80.79 120.95 25.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.498 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 25.7 mt -85.91 164.94 17.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.99 52.96 1.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.43 HG22 ' HG2' ' A' ' 69' ' ' ARG . 6.7 pt -98.84 -47.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.0 p -169.94 141.93 1.87 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 132.02 14.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 71.31 5.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 42.74 -158.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.87 -58.17 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.981 . . . . . . . . 0 0 . 1 stop_ save_